1-acetyl-1,4-diazepan-5-one

C7H12N2O2 — CID 60707887

IUPAC1-acetyl-1,4-diazepan-5-one
SMILESCC(=O)N1CCNC(=O)CC1
InChIInChI=1S/C7H12N2O2/c1-6(10)9-4-2-7(11)8-3-5-9/h2-5H2,1H3,(H,8,11)
InChIKeyVBHHQCFPKDZJGQ-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.65
Rot. Bonds

About 1-acetyl-1,4-diazepan-5-one

1-acetyl-1,4-diazepan-5-one (PubChem CID 60707887) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-acetyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-acetyl-1,4-diazepan-5-one
PubChem CID60707887
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-acetyl-1,4-diazepan-5-one
SMILESCC(=O)N1CCNC(=O)CC1
InChIInChI=1S/C7H12N2O2/c1-6(10)9-4-2-7(11)8-3-5-9/h2-5H2,1H3,(H,8,11)
InChIKeyVBHHQCFPKDZJGQ-UHFFFAOYSA-N
XLogP-0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-acetyl-1,4-diazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-1,4-diazepan-5-one?
The IUPAC name of 1-acetyl-1,4-diazepan-5-one (CID 60707887) is 1-acetyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-acetyl-1,4-diazepan-5-one?
The canonical SMILES for 1-acetyl-1,4-diazepan-5-one is CC(=O)N1CCNC(=O)CC1.
What is the InChIKey of 1-acetyl-1,4-diazepan-5-one?
The InChIKey is VBHHQCFPKDZJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(10)9-4-2-7(11)8-3-5-9/h2-5H2,1H3,(H,8,11).
What are the key properties of 1-acetyl-1,4-diazepan-5-one?
1-acetyl-1,4-diazepan-5-one has a molecular weight of 156.19 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-1,4-diazepan-5-one is sourced from PubChem (CID 60707887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).