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

C9H9NO3 — CID 82490641

IUPAC7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESO=C1CCOc2ccc(O)cc2N1
InChIInChI=1S/C9H9NO3/c11-6-1-2-8-7(5-6)10-9(12)3-4-13-8/h1-2,5,11H,3-4H2,(H,10,12)
InChIKeyQVWUVCPJEAKYCG-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.11
Rot. Bonds

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

7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 82490641) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID82490641
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESO=C1CCOc2ccc(O)cc2N1
InChIInChI=1S/C9H9NO3/c11-6-1-2-8-7(5-6)10-9(12)3-4-13-8/h1-2,5,11H,3-4H2,(H,10,12)
InChIKeyQVWUVCPJEAKYCG-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-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

Related Compounds

7-(cyclopropanecarbonyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231376
(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
CID 82494236
2-hydroxy-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetic acid
CID 82476602
7-(2-chloroethyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82473509
7-isothiocyanato-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82493989
7-(2-oxo-2-piperidin-1-ylethyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 110770706
5-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pentanoic acid
CID 82501267
3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)butanoic acid
CID 82498920
2,2-dimethyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)propanoic acid
CID 82485904
N-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764030
4-oxo-4-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)amino]butanoic acid
CID 98034722
7-(5-aminothiophen-3-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82484573

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 82490641) is 7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one is O=C1CCOc2ccc(O)cc2N1.
What is the InChIKey of 7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is QVWUVCPJEAKYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-6-1-2-8-7(5-6)10-9(12)3-4-13-8/h1-2,5,11H,3-4H2,(H,10,12).
What are the key properties of 7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 179.18 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82490641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).