7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C9H8ClNO2 — CID 79001827

IUPAC7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESO=C1CCOc2ccc(Cl)cc2N1
InChIInChI=1S/C9H8ClNO2/c10-6-1-2-8-7(5-6)11-9(12)3-4-13-8/h1-2,5H,3-4H2,(H,11,12)
InChIKeyHFBQVJNRDXUHRT-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.06
Rot. Bonds

About 7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one

7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 79001827) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID79001827
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESO=C1CCOc2ccc(Cl)cc2N1
InChIInChI=1S/C9H8ClNO2/c10-6-1-2-8-7(5-6)11-9(12)3-4-13-8/h1-2,5H,3-4H2,(H,11,12)
InChIKeyHFBQVJNRDXUHRT-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 79001827) is 7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one is O=C1CCOc2ccc(Cl)cc2N1.
What is the InChIKey of 7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is HFBQVJNRDXUHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-6-1-2-8-7(5-6)11-9(12)3-4-13-8/h1-2,5H,3-4H2,(H,11,12).
What are the key properties of 7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 197.62 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 79001827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).