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

C12H15NO — CID 163242327

IUPAC(4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one
SMILESC[C@H]1Cc2ccccc2CN(C)C1=O
InChIInChI=1S/C12H15NO/c1-9-7-10-5-3-4-6-11(10)8-13(2)12(9)14/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyPRZKFIAKTRLPHM-VIFPVBQESA-N
MW189.26 g/mol
LogP1.84
Rot. Bonds

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

(4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one (PubChem CID 163242327) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one.

Molecular Properties

Compound Name(4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one
PubChem CID163242327
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one
SMILESC[C@H]1Cc2ccccc2CN(C)C1=O
InChIInChI=1S/C12H15NO/c1-9-7-10-5-3-4-6-11(10)8-13(2)12(9)14/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyPRZKFIAKTRLPHM-VIFPVBQESA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)formamide
CID 143233033
2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane
CID 142177778
(2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one
CID 58984785
(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline
CID 14548165
2-methyl-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
CID 85416219
5,11-dimethyl-11,12-dihydro-6H-benzo[c][1]benzazocine
CID 170259427
2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
CID 23554417
3-hydroxy-2-methyl-3,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1-one
CID 20653580
6,8-dimethyl-5,8-dihydro-1,6-naphthyridin-7-one
CID 142177840
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349
2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 59116752

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one?
The IUPAC name of (4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one (CID 163242327) is (4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one.
What is the SMILES notation for (4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one?
The canonical SMILES for (4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one is C[C@H]1Cc2ccccc2CN(C)C1=O.
What is the InChIKey of (4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one?
The InChIKey is PRZKFIAKTRLPHM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15NO/c1-9-7-10-5-3-4-6-11(10)8-13(2)12(9)14/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one?
(4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one has a molecular weight of 189.26 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethyl-4,5-dihydro-1H-2-benzazepin-3-one is sourced from PubChem (CID 163242327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).