5-Phenyl-pyrrolidine-3-carboxylic acid ethyl ester

• CAS: 92041-21-9
• Catalog Number: ACM92041219
• Category: Other Products
• Molecular Weight: 219.2828
• Molecular Formula: C13H17NO2
• Synonyms: 5-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID ETHYL ESTER, 92041-21-9
• IUPAC Name: ethyl 5-phenylpyrrolidine-3-carboxylate
• Canonical SMILES: CCOC(=O)C1CC(NC1)C2=CC=CC=C2
• InChI Key: PBHVLJGBLGLONL-UHFFFAOYSA-N
• Exact Mass: 219.12600
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• MDL Number: MFCD11506316
• Size: 50mg,100mg,250mg,500mg,1g,5g

Custom Q&A

What is the PubChem CID of the compound?

PubChem CID 53408319.

What is the molecular formula of the compound?

The molecular formula is C13H17NO2.

What are the synonyms of the compound?

The synonyms are 92041-21-9, ethyl 5-phenylpyrrolidine-3-carboxylate, 5-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID ETHYL ESTER, DTXSID30696213, ethyl5-phenylpyrrolidine-3-carboxylate.

When was the compound created and modified?

The compound was created on October 30, 2011, and last modified on December 30, 2023.

What is the IUPAC name of the compound?

The IUPAC name is ethyl 5-phenylpyrrolidine-3-carboxylate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H17NO2/c1-2-16-13(15)11-8-12(14-9-11)10-6-4-3-5-7-10/h3-7,11-12,14H,2,8-9H2,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is PBHVLJGBLGLONL-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CCOC(=O)C1CC(NC1)C2=CC=CC=C2.

What is the molecular weight of the compound?

The molecular weight is 219.28 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.