6,8-dimethyl-1H-1-benzazepine-2,3-dione

C12H11NO2 — CID 23354339

IUPAC6,8-dimethyl-1H-1-benzazepine-2,3-dione
SMILESCc1cc(C)c2ccc(=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H11NO2/c1-7-5-8(2)9-3-4-11(14)12(15)13-10(9)6-7/h3-6H,1-2H3,(H,13,14,15)
InChIKeyQOGDTQVVKQIFHM-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.51
Rot. Bonds

About 6,8-dimethyl-1H-1-benzazepine-2,3-dione

6,8-dimethyl-1H-1-benzazepine-2,3-dione (PubChem CID 23354339) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 6,8-dimethyl-1H-1-benzazepine-2,3-dione.

Molecular Properties

Compound Name6,8-dimethyl-1H-1-benzazepine-2,3-dione
PubChem CID23354339
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name6,8-dimethyl-1H-1-benzazepine-2,3-dione
SMILESCc1cc(C)c2ccc(=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H11NO2/c1-7-5-8(2)9-3-4-11(14)12(15)13-10(9)6-7/h3-6H,1-2H3,(H,13,14,15)
InChIKeyQOGDTQVVKQIFHM-UHFFFAOYSA-N
XLogP1.51
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2',3'-Acetoxylidide
CID 8656
N-(2,5-Dimethylphenyl)acetamide
CID 16304
4-(2,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880488
N-(2-(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)acetamide
CID 3240947
3-Hydroxy-6,8-dimethyl-1H-1-benzazepine-2,5-dione
CID 10104763
4,7-Dimethyl-1,2-dihydroquinolin-2-one
CID 268137
Nsc349162
CID 336138
N-(2-(7,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)acetamide
CID 6324584
4-methyl-7-phenyl-1H-quinolin-2-one
CID 73347342
4-(3,4-dimethylphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 847997
N-[3-(3,4-dimethylbenzoyl)phenyl]propanamide
CID 888424
N-(2,5-dimethylphenyl)-3-oxobutanamide
CID 284876

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1H-1-benzazepine-2,3-dione?
The IUPAC name of 6,8-dimethyl-1H-1-benzazepine-2,3-dione (CID 23354339) is 6,8-dimethyl-1H-1-benzazepine-2,3-dione.
What is the SMILES notation for 6,8-dimethyl-1H-1-benzazepine-2,3-dione?
The canonical SMILES for 6,8-dimethyl-1H-1-benzazepine-2,3-dione is Cc1cc(C)c2ccc(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6,8-dimethyl-1H-1-benzazepine-2,3-dione?
The InChIKey is QOGDTQVVKQIFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-5-8(2)9-3-4-11(14)12(15)13-10(9)6-7/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 6,8-dimethyl-1H-1-benzazepine-2,3-dione?
6,8-dimethyl-1H-1-benzazepine-2,3-dione has a molecular weight of 201.22 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1H-1-benzazepine-2,3-dione is sourced from PubChem (CID 23354339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).