(E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one

C10H16N2O — CID 118046416

IUPAC(E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/N1CCNCC1)C1CC1
InChIInChI=1S/C10H16N2O/c13-10(9-1-2-9)3-6-12-7-4-11-5-8-12/h3,6,9,11H,1-2,4-5,7-8H2/b6-3+
InChIKeyBZFJEVFAZZBHAX-ZZXKWVIFSA-N
MW180.25 g/mol
LogP0.38
Rot. Bonds3

About (E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one

(E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one (PubChem CID 118046416) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one
PubChem CID118046416
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/N1CCNCC1)C1CC1
InChIInChI=1S/C10H16N2O/c13-10(9-1-2-9)3-6-12-7-4-11-5-8-12/h3,6,9,11H,1-2,4-5,7-8H2/b6-3+
InChIKeyBZFJEVFAZZBHAX-ZZXKWVIFSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-cyclopropyl-3-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 (E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one (CID 118046416) is (E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one is O=C(/C=C/N1CCNCC1)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one?
The InChIKey is BZFJEVFAZZBHAX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H16N2O/c13-10(9-1-2-9)3-6-12-7-4-11-5-8-12/h3,6,9,11H,1-2,4-5,7-8H2/b6-3+.
What are the key properties of (E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one?
(E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-3-piperazin-1-ylprop-2-en-1-one is sourced from PubChem (CID 118046416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).