1-piperazin-1-ylprop-2-en-1-one

C7H12N2O — CID 11963076

IUPAC1-piperazin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCNCC1
InChIInChI=1S/C7H12N2O/c1-2-7(10)9-5-3-8-4-6-9/h2,8H,1,3-6H2
InChIKeyZVUAMUKZHFTJGR-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.40
Rot. Bonds1

About 1-piperazin-1-ylprop-2-en-1-one

1-piperazin-1-ylprop-2-en-1-one (PubChem CID 11963076) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-piperazin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-piperazin-1-ylprop-2-en-1-one
PubChem CID11963076
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-piperazin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCNCC1
InChIInChI=1S/C7H12N2O/c1-2-7(10)9-5-3-8-4-6-9/h2,8H,1,3-6H2
InChIKeyZVUAMUKZHFTJGR-UHFFFAOYSA-N
XLogP-0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-piperazin-1-ylprop-2-en-1-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-piperazin-1-ylprop-2-en-1-one?
The IUPAC name of 1-piperazin-1-ylprop-2-en-1-one (CID 11963076) is 1-piperazin-1-ylprop-2-en-1-one.
What is the SMILES notation for 1-piperazin-1-ylprop-2-en-1-one?
The canonical SMILES for 1-piperazin-1-ylprop-2-en-1-one is C=CC(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylprop-2-en-1-one?
The InChIKey is ZVUAMUKZHFTJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-7(10)9-5-3-8-4-6-9/h2,8H,1,3-6H2.
What are the key properties of 1-piperazin-1-ylprop-2-en-1-one?
1-piperazin-1-ylprop-2-en-1-one has a molecular weight of 140.19 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylprop-2-en-1-one is sourced from PubChem (CID 11963076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).