tert-Butyl 2-acetylpyrrolidine-1-carboxylate

CAS

92012-22-1

Catalog Number

ACM92012221

Category

Other Products

Molecular Weight

213.273460 [g/mol]

Molecular Formula

C₁₁H₁₉NO₃

MSDS COA Spec Sheet

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Specification

Synonyms

tert-butyl 2-acetylpyrrolidine-1-carboxylate, 92012-22-1, 1-Boc-2-acetyl-pyrrolidine, SCHEMBL5423413, MolPort-008-653-922, WT1004, AKOS004910675, MCULE-7745868976, AK157448, DB-079215, EN300-85377, Z-5996, I14-16288, 92012-22-1 tert-butyl 2-acetylpyrrolidine-1-carboxylate

IUPAC Name

tert-butyl 2-acetylpyrrolidine-1-carboxylate

Canonical SMILES

CC(=O)C1CCCN1C(=O)OC(C)(C)C

InChI Key

NNCPMJHKYIRKSA-UHFFFAOYSA-N

Boiling Point

293.8±33.0 °C (760 mmHg)

Density

1.075±0.06 g/cm³ (20 °C, 760 mmHg)

Exact Mass

213.13600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of tert-Butyl 2-acetylpyrrolidine-1-carboxylate?

The molecular formula of tert-Butyl 2-acetylpyrrolidine-1-carboxylate is C11H19NO3.

What are some synonyms for tert-Butyl 2-acetylpyrrolidine-1-carboxylate?

Some synonyms for tert-Butyl 2-acetylpyrrolidine-1-carboxylate include 92012-22-1, 1-Boc-2-acetyl-pyrrolidine, and 2-Acetyl-pyrrolidine-1-carboxylic acid tert-butyl ester.

What is the molecular weight of tert-Butyl 2-acetylpyrrolidine-1-carboxylate?

The molecular weight of tert-Butyl 2-acetylpyrrolidine-1-carboxylate is 213.27 g/mol.

What is the InChIKey of tert-Butyl 2-acetylpyrrolidine-1-carboxylate?

The InChIKey of tert-Butyl 2-acetylpyrrolidine-1-carboxylate is NNCPMJHKYIRKSA-UHFFFAOYSA-N.

What is the XLogP3-AA value for tert-Butyl 2-acetylpyrrolidine-1-carboxylate?

The XLogP3-AA value for tert-Butyl 2-acetylpyrrolidine-1-carboxylate is 1.4.

How many hydrogen bond acceptors are in tert-Butyl 2-acetylpyrrolidine-1-carboxylate?

There are 3 hydrogen bond acceptors in tert-Butyl 2-acetylpyrrolidine-1-carboxylate.

What is the topological polar surface area of tert-Butyl 2-acetylpyrrolidine-1-carboxylate?

The topological polar surface area of tert-Butyl 2-acetylpyrrolidine-1-carboxylate is 46.6 2.

Is the compound tert-Butyl 2-acetylpyrrolidine-1-carboxylate canonicalized?

Yes, the compound tert-Butyl 2-acetylpyrrolidine-1-carboxylate is canonicalized.

What is the heavy atom count of tert-Butyl 2-acetylpyrrolidine-1-carboxylate?

The heavy atom count of tert-Butyl 2-acetylpyrrolidine-1-carboxylate is 15.

How many undefined atom stereocenters are present in tert-Butyl 2-acetylpyrrolidine-1-carboxylate?

There is 1 undefined atom stereocenter in tert-Butyl 2-acetylpyrrolidine-1-carboxylate.