1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone

C16H15NO — CID 121005219

IUPAC1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone
SMILESCC(=O)C1=CC2=CC=CCC2Nc2ccccc21
InChIInChI=1S/C16H15NO/c1-11(18)14-10-12-6-2-4-8-15(12)17-16-9-5-3-7-13(14)16/h2-7,9-10,15,17H,8H2,1H3
InChIKeyOVPXCFGPINGBQC-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.34
Rot. Bonds1

About 1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone

1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone (PubChem CID 121005219) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone.

Molecular Properties

Compound Name1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone
PubChem CID121005219
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone
SMILESCC(=O)C1=CC2=CC=CCC2Nc2ccccc21
InChIInChI=1S/C16H15NO/c1-11(18)14-10-12-6-2-4-8-15(12)17-16-9-5-3-7-13(14)16/h2-7,9-10,15,17H,8H2,1H3
InChIKeyOVPXCFGPINGBQC-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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9a,10-dihydro-1H-acridin-9-one
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4,4a-dihydrothioxanthen-9-one
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2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid
CID 69163399
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CID 140706592
[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
CID 102118384
2-(4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 78099399
1-[1-(2,3-dihydro-1H-benzimidazol-2-yl)cyclohexa-2,4-dien-1-yl]ethanone
CID 175668128
acetic acid;1,3-dihydroindol-2-one
CID 158067424
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238

Frequently Asked Questions

What is the IUPAC name of 1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone?
The IUPAC name of 1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone (CID 121005219) is 1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone.
What is the SMILES notation for 1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone?
The canonical SMILES for 1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone is CC(=O)C1=CC2=CC=CCC2Nc2ccccc21.
What is the InChIKey of 1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone?
The InChIKey is OVPXCFGPINGBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11(18)14-10-12-6-2-4-8-15(12)17-16-9-5-3-7-13(14)16/h2-7,9-10,15,17H,8H2,1H3.
What are the key properties of 1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone?
1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10a,11-dihydro-10H-benzo[b][1]benzazepin-5-yl)ethanone is sourced from PubChem (CID 121005219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).