1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one

C17H17NO — CID 56977746

IUPAC1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCc1cccc(N2C(=O)CCCc3ccccc32)c1
InChIInChI=1S/C17H17NO/c1-13-6-4-9-15(12-13)18-16-10-3-2-7-14(16)8-5-11-17(18)19/h2-4,6-7,9-10,12H,5,8,11H2,1H3
InChIKeyRTFJEPKXSYKMPU-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.00
Rot. Bonds1

About 1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one

1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 56977746) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID56977746
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCc1cccc(N2C(=O)CCCc3ccccc32)c1
InChIInChI=1S/C17H17NO/c1-13-6-4-9-15(12-13)18-16-10-3-2-7-14(16)8-5-11-17(18)19/h2-4,6-7,9-10,12H,5,8,11H2,1H3
InChIKeyRTFJEPKXSYKMPU-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one
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1-(3-fluorophenyl)piperidine-2,6-dione
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1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
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3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
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3-(3-methylphenyl)-1-(4-methylphenyl)imidazolidine-2,4-dione
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N-(2,5-dimethylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one (CID 56977746) is 1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one is Cc1cccc(N2C(=O)CCCc3ccccc32)c1.
What is the InChIKey of 1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is RTFJEPKXSYKMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-6-4-9-15(12-13)18-16-10-3-2-7-14(16)8-5-11-17(18)19/h2-4,6-7,9-10,12H,5,8,11H2,1H3.
What are the key properties of 1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one?
1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 251.33 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 56977746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).