7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one

C9H8ClNO2 — CID 12793538

IUPAC7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
SMILESO=C1OCCC2=CC=C(Cl)C=CN12
InChIInChI=1S/C9H8ClNO2/c10-7-1-2-8-4-6-13-9(12)11(8)5-3-7/h1-3,5H,4,6H2
InChIKeyFVKZIJNIARDQGY-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.36
Rot. Bonds

About 7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one

7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one (PubChem CID 12793538) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one.

Molecular Properties

Compound Name7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
PubChem CID12793538
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
SMILESO=C1OCCC2=CC=C(Cl)C=CN12
InChIInChI=1S/C9H8ClNO2/c10-7-1-2-8-4-6-13-9(12)11(8)5-3-7/h1-3,5H,4,6H2
InChIKeyFVKZIJNIARDQGY-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Methyl-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one
CID 12793537
3,4-Dihydro-1H-[1,3]oxazino[3,4-a]azepin-1-one
CID 71421161
Ethyl 2-ethylazepine-1-carboxylate
CID 21821810

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
The IUPAC name of 7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one (CID 12793538) is 7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one.
What is the SMILES notation for 7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
The canonical SMILES for 7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one is O=C1OCCC2=CC=C(Cl)C=CN12.
What is the InChIKey of 7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
The InChIKey is FVKZIJNIARDQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-7-1-2-8-4-6-13-9(12)11(8)5-3-7/h1-3,5H,4,6H2.
What are the key properties of 7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one?
7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one has a molecular weight of 197.62 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dihydro-[1,3]oxazino[3,4-a]azepin-1-one is sourced from PubChem (CID 12793538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).