1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone

C15H13NO2 — CID 135039301

IUPAC1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)Nc1ccccc1OC2
InChIInChI=1S/C15H13NO2/c1-10(17)11-6-7-12-9-18-15-5-3-2-4-13(15)16-14(12)8-11/h2-8,16H,9H2,1H3
InChIKeyKLGZHFQEWMRMJA-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.53
Rot. Bonds1

About 1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone

1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone (PubChem CID 135039301) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone.

Molecular Properties

Compound Name1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
PubChem CID135039301
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)Nc1ccccc1OC2
InChIInChI=1S/C15H13NO2/c1-10(17)11-6-7-12-9-18-15-5-3-2-4-13(15)16-14(12)8-11/h2-8,16H,9H2,1H3
InChIKeyKLGZHFQEWMRMJA-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone 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

1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
CID 135039243
9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine
CID 159741700
6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
CID 91028665
6-acetyl-1,3-dihydroindol-2-one;molecular hydrogen
CID 162521220
1-(2-sulfanylidene-3,4-dihydro-1H-quinazolin-7-yl)ethanone
CID 84779156
4,11,22-trioxa-15-azapentacyclo[12.9.0.03,12.05,10.016,21]tricosa-1,3(12),6,8,13,16,18,20-octaene
CID 163910304
6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one
CID 11775838
1-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)ethanone
CID 3911959
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
7-acetyl-4-phenyl-1,4-benzoxazin-3-one
CID 166716218
1-(7-chloro-10H-phenoxazin-2-yl)ethanone
CID 170632598
5-acetyl-1-benzofuran-3-one
CID 23008718

Frequently Asked Questions

What is the IUPAC name of 1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone?
The IUPAC name of 1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone (CID 135039301) is 1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone.
What is the SMILES notation for 1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone?
The canonical SMILES for 1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone is CC(=O)c1ccc2c(c1)Nc1ccccc1OC2.
What is the InChIKey of 1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone?
The InChIKey is KLGZHFQEWMRMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10(17)11-6-7-12-9-18-15-5-3-2-4-13(15)16-14(12)8-11/h2-8,16H,9H2,1H3.
What are the key properties of 1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone?
1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone has a molecular weight of 239.27 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone is sourced from PubChem (CID 135039301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).