1,3,4,6,7-pentamethylazepine-2,5-dione

C11H15NO2 — CID 121219922

IUPAC1,3,4,6,7-pentamethylazepine-2,5-dione
SMILESCc1c(C)c(=O)n(C)c(C)c(C)c1=O
InChIInChI=1S/C11H15NO2/c1-6-7(2)11(14)12(5)9(4)8(3)10(6)13/h1-5H3
InChIKeyGSQOECPFSCPOCP-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.98
Rot. Bonds

About 1,3,4,6,7-pentamethylazepine-2,5-dione

1,3,4,6,7-pentamethylazepine-2,5-dione (PubChem CID 121219922) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1,3,4,6,7-pentamethylazepine-2,5-dione.

Molecular Properties

Compound Name1,3,4,6,7-pentamethylazepine-2,5-dione
PubChem CID121219922
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1,3,4,6,7-pentamethylazepine-2,5-dione
SMILESCc1c(C)c(=O)n(C)c(C)c(C)c1=O
InChIInChI=1S/C11H15NO2/c1-6-7(2)11(14)12(5)9(4)8(3)10(6)13/h1-5H3
InChIKeyGSQOECPFSCPOCP-UHFFFAOYSA-N
XLogP0.98
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(Z)-2,2-difluoro-4-methyl-5-oxohex-3-en-3-yl]-N-methylacetamide
CID 142607460
3,4,6,7-tetramethyl-1H-azepine-2,5-dione
CID 21790238
6,7-Bis(ethenyl)-1-methylazepine-2,5-dione
CID 89075832
N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide
CID 91539271
3-(1-Acetylpyrrolidin-2-ylidene)butan-2-one
CID 123729373
1,2,3,6,7-Pentamethyl-4,5-dihydroazocin-8-one
CID 123983578
6,7,9-Trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione
CID 13253269

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7-pentamethylazepine-2,5-dione?
The IUPAC name of 1,3,4,6,7-pentamethylazepine-2,5-dione (CID 121219922) is 1,3,4,6,7-pentamethylazepine-2,5-dione.
What is the SMILES notation for 1,3,4,6,7-pentamethylazepine-2,5-dione?
The canonical SMILES for 1,3,4,6,7-pentamethylazepine-2,5-dione is Cc1c(C)c(=O)n(C)c(C)c(C)c1=O.
What is the InChIKey of 1,3,4,6,7-pentamethylazepine-2,5-dione?
The InChIKey is GSQOECPFSCPOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-7(2)11(14)12(5)9(4)8(3)10(6)13/h1-5H3.
What are the key properties of 1,3,4,6,7-pentamethylazepine-2,5-dione?
1,3,4,6,7-pentamethylazepine-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7-pentamethylazepine-2,5-dione is sourced from PubChem (CID 121219922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).