1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one

C14H17NO4 — CID 82624471

IUPAC1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCOc1cc(OC)c2c(c1)C(=O)CCCN2C(C)=O
InChIInChI=1S/C14H17NO4/c1-9(16)15-6-4-5-12(17)11-7-10(18-2)8-13(19-3)14(11)15/h7-8H,4-6H2,1-3H3
InChIKeyNNELIMDZXUHATG-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.03
Rot. Bonds2

About 1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one

1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 82624471) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID82624471
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCOc1cc(OC)c2c(c1)C(=O)CCCN2C(C)=O
InChIInChI=1S/C14H17NO4/c1-9(16)15-6-4-5-12(17)11-7-10(18-2)8-13(19-3)14(11)15/h7-8H,4-6H2,1-3H3
InChIKeyNNELIMDZXUHATG-UHFFFAOYSA-N
XLogP2.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295
1-(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 110671550
N-(1-acetyl-7,8-dimethoxy-4-oxo-2,3-dihydroquinolin-5-yl)acetamide
CID 11781721
6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one
CID 11118740
1-(2,4-dimethoxyphenyl)piperidine-2,3-dione
CID 117013794
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241
2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191529
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174
1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635249
1-[4-(2,4,6-trimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110817100
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one (CID 82624471) is 1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one is COc1cc(OC)c2c(c1)C(=O)CCCN2C(C)=O.
What is the InChIKey of 1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is NNELIMDZXUHATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(16)15-6-4-5-12(17)11-7-10(18-2)8-13(19-3)14(11)15/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one?
1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 263.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-7,9-dimethoxy-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 82624471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).