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Retrosynthesis · AI + evidence

Azepan-2-one (C6H11NO)

azepan-2-one (C6H11NO; CAS 105-60-2) is a practical retrosynthesis target. azepan-2-one presents a C6 framework, basic nitrogen. Open AI route search in one click below.

Target
Azepan-2-one
CAS
105-60-2
Formula
C6H11NO
Approx. MW
113.16
SMILES
O=C1CCCCCN1
PubChem CID
7768
Approx. carbons
C6

Azepan-2-one structure

Properties

IUPAC name
azepan-2-one
Common names
azepan-2-one; CAPROLACTAM; 105-60-2; epsilon-Caprolactam; 2-Oxohexamethylenimine; 6-Caprolactam; Aminocaproic lactam; Hexahydro-2H-azepin-2-one; 6-Hexanelactam; 2-Oxohexamethyleneimine
Molecular weight
113.16
Exact mass
113.08
InChIKey
JBKVHLHDHHXQEQ-UHFFFAOYSA-N
Melting point
156 °F (NTP, 1992)
Boiling point
512.4 °F at 760 mmHg (NTP, 1992)
Density
1.02 at 170.6 °F (USCG, 1999) - Denser than water; will sink

View on PubChem

Azepan-2-one 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Azepan-2-one?

Azepan-2-one has molecular formula C6H11NO. Molecular weight about 113.16 g·mol⁻¹.

What is the CAS number of Azepan-2-one?

The CAS Registry Number for Azepan-2-one is 105-60-2.

Run AI retrosynthesis for Azepan-2-one Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H11NO.

Related targets

Similar compounds

1-Ethyl-2-PyrrolidinoneN-Formylpiperidine(1-Aminocyclopentyl)methanol(3R)-3-aminoazepan-2-one(Butylamino)acetonitrile1-Cyanoallyl acetate

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References & tools