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

C11H13NO — CID 852174

IUPAC3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCN1CCc2ccccc2CC1=O
InChIInChI=1S/C11H13NO/c1-12-7-6-9-4-2-3-5-10(9)8-11(12)13/h2-5H,6-8H2,1H3
InChIKeyNAUWUGHLFUVNQH-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.24
Rot. Bonds

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

3-methyl-2,5-dihydro-1H-3-benzazepin-4-one (PubChem CID 852174) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-methyl-2,5-dihydro-1H-3-benzazepin-4-one.

Molecular Properties

Compound Name3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
PubChem CID852174
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCN1CCc2ccccc2CC1=O
InChIInChI=1S/C11H13NO/c1-12-7-6-9-4-2-3-5-10(9)8-11(12)13/h2-5H,6-8H2,1H3
InChIKeyNAUWUGHLFUVNQH-UHFFFAOYSA-N
XLogP1.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N-Dimethyl-2-phenylacetamide
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1-(4-Ethylpiperazin-1-yl)-2-phenylethanone
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N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
2-(3-Methylphenyl)-1-pyrrolidin-1-ylethanone
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3-Phenyl-1-(pyrrolidin-1-yl)propan-1-one
CID 1533088
N-(2-methylpropyl)-2-phenylacetamide
CID 668859
2-Azetidinone, 3-ethyl-N-methyl-3-phenyl-
CID 15898
N-Ethylphenylacetamide
CID 79591
N,N-diethyl-2,2-diphenylacetamide
CID 229107

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
The IUPAC name of 3-methyl-2,5-dihydro-1H-3-benzazepin-4-one (CID 852174) is 3-methyl-2,5-dihydro-1H-3-benzazepin-4-one.
What is the SMILES notation for 3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
The canonical SMILES for 3-methyl-2,5-dihydro-1H-3-benzazepin-4-one is CN1CCc2ccccc2CC1=O.
What is the InChIKey of 3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
The InChIKey is NAUWUGHLFUVNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-12-7-6-9-4-2-3-5-10(9)8-11(12)13/h2-5H,6-8H2,1H3.
What are the key properties of 3-methyl-2,5-dihydro-1H-3-benzazepin-4-one?
3-methyl-2,5-dihydro-1H-3-benzazepin-4-one has a molecular weight of 175.23 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dihydro-1H-3-benzazepin-4-one is sourced from PubChem (CID 852174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).