3-methyl-2H-2-benzazepine-1,5-dione

C11H9NO2 — CID 15271398

IUPAC3-methyl-2H-2-benzazepine-1,5-dione
SMILESCc1cc(=O)c2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H9NO2/c1-7-6-10(13)8-4-2-3-5-9(8)11(14)12-7/h2-6H,1H3,(H,12,14)
InChIKeyFEGUAANTVZSHQW-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.20
Rot. Bonds

About 3-methyl-2H-2-benzazepine-1,5-dione

3-methyl-2H-2-benzazepine-1,5-dione (PubChem CID 15271398) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-methyl-2H-2-benzazepine-1,5-dione.

Molecular Properties

Compound Name3-methyl-2H-2-benzazepine-1,5-dione
PubChem CID15271398
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-methyl-2H-2-benzazepine-1,5-dione
SMILESCc1cc(=O)c2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H9NO2/c1-7-6-10(13)8-4-2-3-5-9(8)11(14)12-7/h2-6H,1H3,(H,12,14)
InChIKeyFEGUAANTVZSHQW-UHFFFAOYSA-N
XLogP1.20
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-2-benzazepine-1,5-dione?
The IUPAC name of 3-methyl-2H-2-benzazepine-1,5-dione (CID 15271398) is 3-methyl-2H-2-benzazepine-1,5-dione.
What is the SMILES notation for 3-methyl-2H-2-benzazepine-1,5-dione?
The canonical SMILES for 3-methyl-2H-2-benzazepine-1,5-dione is Cc1cc(=O)c2ccccc2c(=O)[nH]1.
What is the InChIKey of 3-methyl-2H-2-benzazepine-1,5-dione?
The InChIKey is FEGUAANTVZSHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7-6-10(13)8-4-2-3-5-9(8)11(14)12-7/h2-6H,1H3,(H,12,14).
What are the key properties of 3-methyl-2H-2-benzazepine-1,5-dione?
3-methyl-2H-2-benzazepine-1,5-dione has a molecular weight of 187.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-2-benzazepine-1,5-dione is sourced from PubChem (CID 15271398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).