1-phenyl-2-propanoyldiazinan-3-one

C13H16N2O2 — CID 19911370

IUPAC1-phenyl-2-propanoyldiazinan-3-one
SMILESCCC(=O)N1C(=O)CCCN1c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-12(16)15-13(17)9-6-10-14(15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyZYGUWLKVBYRRSN-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.97
Rot. Bonds2

About 1-phenyl-2-propanoyldiazinan-3-one

1-phenyl-2-propanoyldiazinan-3-one (PubChem CID 19911370) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-phenyl-2-propanoyldiazinan-3-one.

Molecular Properties

Compound Name1-phenyl-2-propanoyldiazinan-3-one
PubChem CID19911370
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-phenyl-2-propanoyldiazinan-3-one
SMILESCCC(=O)N1C(=O)CCCN1c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-12(16)15-13(17)9-6-10-14(15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyZYGUWLKVBYRRSN-UHFFFAOYSA-N
XLogP1.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-2-propanoyldiazinan-3-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-phenyl-2-propanoyldiazinan-3-one?
The IUPAC name of 1-phenyl-2-propanoyldiazinan-3-one (CID 19911370) is 1-phenyl-2-propanoyldiazinan-3-one.
What is the SMILES notation for 1-phenyl-2-propanoyldiazinan-3-one?
The canonical SMILES for 1-phenyl-2-propanoyldiazinan-3-one is CCC(=O)N1C(=O)CCCN1c1ccccc1.
What is the InChIKey of 1-phenyl-2-propanoyldiazinan-3-one?
The InChIKey is ZYGUWLKVBYRRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-12(16)15-13(17)9-6-10-14(15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3.
What are the key properties of 1-phenyl-2-propanoyldiazinan-3-one?
1-phenyl-2-propanoyldiazinan-3-one has a molecular weight of 232.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propanoyldiazinan-3-one is sourced from PubChem (CID 19911370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).