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

C11H12ClNO2 — CID 104523490

IUPAC7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
SMILESCC1(C)CC(=O)Nc2cc(Cl)ccc2O1
InChIInChI=1S/C11H12ClNO2/c1-11(2)6-10(14)13-8-5-7(12)3-4-9(8)15-11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyVDVISVKWAWFLDQ-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.84
Rot. Bonds

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

7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one (PubChem CID 104523490) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
PubChem CID104523490
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
SMILESCC1(C)CC(=O)Nc2cc(Cl)ccc2O1
InChIInChI=1S/C11H12ClNO2/c1-11(2)6-10(14)13-8-5-7(12)3-4-9(8)15-11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyVDVISVKWAWFLDQ-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-2,2-dimethyl-3,5-dihydro-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-amino-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 82230427
N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide
CID 94980333
7-bromo-8-fluoro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523606
2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-8-carboxylic acid
CID 82231700
6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 115097029
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
6-chloro-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56730123
7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one
CID 115099122
6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
CID 86611692
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
6-chloro-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 75796642
7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one
CID 59442987

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one (CID 104523490) is 7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one is CC1(C)CC(=O)Nc2cc(Cl)ccc2O1.
What is the InChIKey of 7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is VDVISVKWAWFLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-11(2)6-10(14)13-8-5-7(12)3-4-9(8)15-11/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one?
7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 225.68 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 104523490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).