7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one

C13H15NO3 — CID 12027017

IUPAC7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one
SMILESCOc1cc2c(cc1OC)CN(C)C(=O)C=C2
InChIInChI=1S/C13H15NO3/c1-14-8-10-7-12(17-3)11(16-2)6-9(10)4-5-13(14)15/h4-7H,8H2,1-3H3
InChIKeyTYSZNSUMFYNTOE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.69
Rot. Bonds2

About 7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one

7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one (PubChem CID 12027017) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one.

Molecular Properties

Compound Name7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one
PubChem CID12027017
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one
SMILESCOc1cc2c(cc1OC)CN(C)C(=O)C=C2
InChIInChI=1S/C13H15NO3/c1-14-8-10-7-12(17-3)11(16-2)6-9(10)4-5-13(14)15/h4-7H,8H2,1-3H3
InChIKeyTYSZNSUMFYNTOE-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
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6,7-dimethoxy-2-methyl-3-phenyl-1H-isoquinoline;hydrochloride
CID 173096127
7,8-dimethoxy-3-pentyl-1H-3-benzazepin-2-one
CID 123825761
3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
CID 90268326
3-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)propylchloranium
CID 144748292
5,6-dimethoxy-1,3-dihydroisoindole-2-carboxylic acid
CID 67544480
7-methoxy-2-methyl-6-nitro-1H-isoquinoline
CID 138580919
7,8-dimethoxy-3-methyl-3-benzazepine
CID 23462934
(4R)-7,8-dimethoxy-2-methyl-4-prop-2-enyl-4,5-dihydro-1H-2-benzazepin-3-one
CID 57409427
4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13184641
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CID 10752785

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one?
The IUPAC name of 7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one (CID 12027017) is 7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one.
What is the SMILES notation for 7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one?
The canonical SMILES for 7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one is COc1cc2c(cc1OC)CN(C)C(=O)C=C2.
What is the InChIKey of 7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one?
The InChIKey is TYSZNSUMFYNTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14-8-10-7-12(17-3)11(16-2)6-9(10)4-5-13(14)15/h4-7H,8H2,1-3H3.
What are the key properties of 7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one?
7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one has a molecular weight of 233.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2-methyl-1H-2-benzazepin-3-one is sourced from PubChem (CID 12027017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).