3-phenyl-1,1-bis(prop-2-enyl)urea

C13H16N2O — CID 765482

IUPAC3-phenyl-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H16N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2,(H,14,16)
InChIKeyWTNHSTMLXCXNDF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.89
Rot. Bonds5

About 3-phenyl-1,1-bis(prop-2-enyl)urea

3-phenyl-1,1-bis(prop-2-enyl)urea (PubChem CID 765482) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-phenyl-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-phenyl-1,1-bis(prop-2-enyl)urea
PubChem CID765482
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-phenyl-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H16N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2,(H,14,16)
InChIKeyWTNHSTMLXCXNDF-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenyl-1,1-bis(prop-2-enyl)urea 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 3-phenyl-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-phenyl-1,1-bis(prop-2-enyl)urea (CID 765482) is 3-phenyl-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-phenyl-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-phenyl-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)Nc1ccccc1.
What is the InChIKey of 3-phenyl-1,1-bis(prop-2-enyl)urea?
The InChIKey is WTNHSTMLXCXNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-10-15(11-4-2)13(16)14-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2,(H,14,16).
What are the key properties of 3-phenyl-1,1-bis(prop-2-enyl)urea?
3-phenyl-1,1-bis(prop-2-enyl)urea has a molecular weight of 216.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 765482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).