(7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one

C18H19NO — CID 58780288

IUPAC(7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
SMILESCC(C)[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO/c1-12(2)17-15-10-5-4-8-13(15)14-9-6-7-11-16(14)19(3)18(17)20/h4-12,17H,1-3H3/t17-/m0/s1
InChIKeyQFXVQQWYNUXCCG-KRWDZBQOSA-N
MW265.36 g/mol
LogP4.07
Rot. Bonds1

About (7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one

(7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one (PubChem CID 58780288) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name(7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
PubChem CID58780288
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
SMILESCC(C)[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO/c1-12(2)17-15-10-5-4-8-13(15)14-9-6-7-11-16(14)19(3)18(17)20/h4-12,17H,1-3H3/t17-/m0/s1
InChIKeyQFXVQQWYNUXCCG-KRWDZBQOSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one
CID 142058260
7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
CID 58780327
5-methyl-3-[(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)carbamoyl]hexanoic acid
CID 142005649
(3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione
CID 643298
1-methyl-3-(6-phenylpyridazin-3-yl)-3H-indol-2-one
CID 86242148
9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene
CID 157296228
3-bromo-1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione
CID 45024476
(2R)-2-methyl-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
CID 23661685
[(2R)-1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl] N-propylcarbamate
CID 11315421
(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one
CID 26342865
5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride
CID 22288243
2-methyl-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)-N'-(3,3,3-trifluoro-2-hydroxypropyl)propanediamide
CID 21072503

Frequently Asked Questions

What is the IUPAC name of (7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one?
The IUPAC name of (7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one (CID 58780288) is (7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one.
What is the SMILES notation for (7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one?
The canonical SMILES for (7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one is CC(C)[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21.
What is the InChIKey of (7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one?
The InChIKey is QFXVQQWYNUXCCG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO/c1-12(2)17-15-10-5-4-8-13(15)14-9-6-7-11-16(14)19(3)18(17)20/h4-12,17H,1-3H3/t17-/m0/s1.
What are the key properties of (7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one?
(7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one has a molecular weight of 265.36 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one is sourced from PubChem (CID 58780288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).