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

C17H17NO — CID 122217133

IUPAC3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCN1CCc2ccccc2C(c2ccccc2)C1=O
InChIInChI=1S/C17H17NO/c1-18-12-11-13-7-5-6-10-15(13)16(17(18)19)14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3
InChIKeyMJCXJHGZZBDDLO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.83
Rot. Bonds1

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

3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one (PubChem CID 122217133) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one.

Molecular Properties

Compound Name3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one
PubChem CID122217133
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCN1CCc2ccccc2C(c2ccccc2)C1=O
InChIInChI=1S/C17H17NO/c1-18-12-11-13-7-5-6-10-15(13)16(17(18)19)14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3
InChIKeyMJCXJHGZZBDDLO-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-5-(4-methoxyphenyl)-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 124647171
3-methyl-5-(3-methylphenyl)-2,5-dihydro-1H-3-benzazepin-4-one
CID 102197918
3-methyl-5-(2-methylcyclopenten-1-yl)-2,5-dihydro-1H-3-benzazepin-4-one
CID 57120150
3,5-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one;ethane
CID 90705389
(5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one
CID 170913650
(5S)-8-chloro-7-methoxy-3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 67831904
(4S)-8-bromo-2-methyl-4-phenyl-1,4-dihydroisoquinolin-3-one
CID 11162864
(5S)-5-amino-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one;(2S,3S)-2,3-dihydroxy-2,3-bis(4-methylbenzoyl)butanedioic acid
CID 131727232
methyl (4E)-3-ethyl-6-phenyl-2,6-dihydro-1H-3-benzazocine-5-carboxylate
CID 102513675
(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
CID 141299186
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 69387751

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one?
The IUPAC name of 3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one (CID 122217133) is 3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one.
What is the SMILES notation for 3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one?
The canonical SMILES for 3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one is CN1CCc2ccccc2C(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one?
The InChIKey is MJCXJHGZZBDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-18-12-11-13-7-5-6-10-15(13)16(17(18)19)14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3.
What are the key properties of 3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one?
3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one has a molecular weight of 251.33 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one is sourced from PubChem (CID 122217133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).