3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione

C13H13NO3 — CID 10704674

IUPAC3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione
SMILESCOc1cc(=O)c2c(C)ccc(C)c2[nH]c1=O
InChIInChI=1S/C13H13NO3/c1-7-4-5-8(2)12-11(7)9(15)6-10(17-3)13(16)14-12/h4-6H,1-3H3,(H,14,16)
InChIKeyZGNPBYAHTRJSEO-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.51
Rot. Bonds1

About 3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione

3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione (PubChem CID 10704674) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione.

Molecular Properties

Compound Name3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione
PubChem CID10704674
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione
SMILESCOc1cc(=O)c2c(C)ccc(C)c2[nH]c1=O
InChIInChI=1S/C13H13NO3/c1-7-4-5-8(2)12-11(7)9(15)6-10(17-3)13(16)14-12/h4-6H,1-3H3,(H,14,16)
InChIKeyZGNPBYAHTRJSEO-UHFFFAOYSA-N
XLogP1.51
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-8-methyl-1H-quinolin-2-one
CID 151998755
methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
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2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one
CID 55127526
8-iodo-3-methoxy-1H-quinolin-2-one
CID 68636812
4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84638531
2-methoxycycloprop-2-en-1-one
CID 140769587
4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde
CID 105455213
3-methoxy-6-methyl-1H-pyridin-2-one
CID 21221223
6-(difluoromethyl)-3-methoxy-5-methyl-1H-pyridin-2-one
CID 119013990
2-ethyl-8-methoxy-5-methyl-3H-quinazolin-4-one
CID 137009972
8-ethyl-3-methoxy-1H-quinolin-2-one
CID 119083523
8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 162540366

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione?
The IUPAC name of 3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione (CID 10704674) is 3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione.
What is the SMILES notation for 3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione?
The canonical SMILES for 3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione is COc1cc(=O)c2c(C)ccc(C)c2[nH]c1=O.
What is the InChIKey of 3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione?
The InChIKey is ZGNPBYAHTRJSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-7-4-5-8(2)12-11(7)9(15)6-10(17-3)13(16)14-12/h4-6H,1-3H3,(H,14,16).
What are the key properties of 3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione?
3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione has a molecular weight of 231.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6,9-dimethyl-1H-1-benzazepine-2,5-dione is sourced from PubChem (CID 10704674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).