2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C10H11NO2 — CID 572983

IUPAC2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCC1CC(=O)Nc2ccccc2O1
InChIInChI=1S/C10H11NO2/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-5,7H,6H2,1H3,(H,11,12)
InChIKeyZPCZQESAHAVOLW-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.80
Rot. Bonds

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

2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 572983) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID572983
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCC1CC(=O)Nc2ccccc2O1
InChIInChI=1S/C10H11NO2/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-5,7H,6H2,1H3,(H,11,12)
InChIKeyZPCZQESAHAVOLW-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenacetin
CID 4754
Bucetin
CID 14130
N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
Acetamide, N-(2-methoxyphenyl)-
CID 7135
Acetoacet-o-anisidide
CID 7078
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
o-Ethoxyacetanilide
CID 11383
3'-Ethoxyacetanilide
CID 11570
2H-1,4-benzoxazin-3(4H)-one
CID 72757
2'-(Trifluoromethoxy)acetanilide
CID 600772
2-Chloro-N-(2-methoxyphenyl)acetamide
CID 41647
Phenoxyacetanilide
CID 264248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 572983) is 2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is CC1CC(=O)Nc2ccccc2O1.
What is the InChIKey of 2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is ZPCZQESAHAVOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-5,7H,6H2,1H3,(H,11,12).
What are the key properties of 2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 177.20 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 572983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).