(3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione

C17H15NO2 — CID 102510066

IUPAC(3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione
SMILESC[C@@H]1NC(=O)c2ccccc2C(=O)[C@H]1c1ccccc1
InChIInChI=1S/C17H15NO2/c1-11-15(12-7-3-2-4-8-12)16(19)13-9-5-6-10-14(13)17(20)18-11/h2-11,15H,1H3,(H,18,20)/t11-,15+/m0/s1
InChIKeyLWGHNLQWIVBZSF-XHDPSFHLSA-N
MW265.31 g/mol
LogP2.79
Rot. Bonds1

About (3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione

(3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione (PubChem CID 102510066) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione.

Molecular Properties

Compound Name(3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione
PubChem CID102510066
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione
SMILESC[C@@H]1NC(=O)c2ccccc2C(=O)[C@H]1c1ccccc1
InChIInChI=1S/C17H15NO2/c1-11-15(12-7-3-2-4-8-12)16(19)13-9-5-6-10-14(13)17(20)18-11/h2-11,15H,1H3,(H,18,20)/t11-,15+/m0/s1
InChIKeyLWGHNLQWIVBZSF-XHDPSFHLSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 132948263
(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one
CID 53475427
5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione
CID 139635069
(2S)-3-methylimino-2-phenylinden-1-one
CID 124846160
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
3-methylimino-2-phenylinden-1-one
CID 91824479
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
2-[(3R)-3-methyl-1-oxo-2,3-dihydroisoquinolin-4-ylidene]acetic acid
CID 91594643
2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one
CID 78268048
(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
CID 15416039

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione?
The IUPAC name of (3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione (CID 102510066) is (3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione.
What is the SMILES notation for (3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione?
The canonical SMILES for (3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione is C[C@@H]1NC(=O)c2ccccc2C(=O)[C@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione?
The InChIKey is LWGHNLQWIVBZSF-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-15(12-7-3-2-4-8-12)16(19)13-9-5-6-10-14(13)17(20)18-11/h2-11,15H,1H3,(H,18,20)/t11-,15+/m0/s1.
What are the key properties of (3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione?
(3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione has a molecular weight of 265.31 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione is sourced from PubChem (CID 102510066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).