1-phenyl-5-prop-2-enylpyrazolidin-3-one

C12H14N2O — CID 70353727

IUPAC1-phenyl-5-prop-2-enylpyrazolidin-3-one
SMILESC=CCC1CC(=O)NN1c1ccccc1
InChIInChI=1S/C12H14N2O/c1-2-6-11-9-12(15)13-14(11)10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9H2,(H,13,15)
InChIKeyIYYNTHUSCDWCCW-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.87
Rot. Bonds3

About 1-phenyl-5-prop-2-enylpyrazolidin-3-one

1-phenyl-5-prop-2-enylpyrazolidin-3-one (PubChem CID 70353727) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-phenyl-5-prop-2-enylpyrazolidin-3-one.

Molecular Properties

Compound Name1-phenyl-5-prop-2-enylpyrazolidin-3-one
PubChem CID70353727
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-phenyl-5-prop-2-enylpyrazolidin-3-one
SMILESC=CCC1CC(=O)NN1c1ccccc1
InChIInChI=1S/C12H14N2O/c1-2-6-11-9-12(15)13-14(11)10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9H2,(H,13,15)
InChIKeyIYYNTHUSCDWCCW-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phenyl-5-prop-2-enylpyrazolidin-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-5-prop-2-enylpyrazolidin-3-one?
The IUPAC name of 1-phenyl-5-prop-2-enylpyrazolidin-3-one (CID 70353727) is 1-phenyl-5-prop-2-enylpyrazolidin-3-one.
What is the SMILES notation for 1-phenyl-5-prop-2-enylpyrazolidin-3-one?
The canonical SMILES for 1-phenyl-5-prop-2-enylpyrazolidin-3-one is C=CCC1CC(=O)NN1c1ccccc1.
What is the InChIKey of 1-phenyl-5-prop-2-enylpyrazolidin-3-one?
The InChIKey is IYYNTHUSCDWCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-6-11-9-12(15)13-14(11)10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9H2,(H,13,15).
What are the key properties of 1-phenyl-5-prop-2-enylpyrazolidin-3-one?
1-phenyl-5-prop-2-enylpyrazolidin-3-one has a molecular weight of 202.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-prop-2-enylpyrazolidin-3-one is sourced from PubChem (CID 70353727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).