1-(3,4-Dihydro-2H-[1,8]naphthyridin-1-yl)-2,2-dimethyl-propan-1-one

• CAS: 824429-54-1
• Catalog Number: ACM824429541
• Category: Amines
• Molecular Weight: 218.29
• Molecular Formula: C₁₃H₁₅N₃O₂
• Synonyms: ZINC04352680, 824429-54-1
• IUPAC Name: 1-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2,2-dimethylpropan-1-one
• Canonical SMILES: CC(C)(C)C(=O)N1CCCC2=C1N=CC=C2
• InChI Key: SKGNVOLABANBPL-UHFFFAOYSA-N
• Exact Mass: 218.14200
• Hazard Statements: H302-H319
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C13H18N2O.

What is the molecular weight of the compound?

The molecular weight of the compound is 218.29 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2,2-dimethylpropan-1-one.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H18N2O/c1-13(2,3)12(16)15-9-5-7-10-6-4-8-14-11(10)15/h4,6,8H,5,7,9H2,1-3H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)(C)C(=O)N1CCCC2=C1N=CC=C2.

What is the CAS number of the compound?

The CAS number of the compound is 824429-54-1.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.3.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 0.

Is the compound canonicalized?

Yes, the compound is canonicalized.