1-benzyl-3-prop-2-enylurea

C11H14N2O — CID 17390252

IUPAC1-benzyl-3-prop-2-enylurea
SMILESC=CCNC(=O)NCc1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-8-12-11(14)13-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,14)
InChIKeyLZMQZMPFZNZBMK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.67
Rot. Bonds4

About 1-benzyl-3-prop-2-enylurea

1-benzyl-3-prop-2-enylurea (PubChem CID 17390252) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-benzyl-3-prop-2-enylurea.

Molecular Properties

Compound Name1-benzyl-3-prop-2-enylurea
PubChem CID17390252
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-benzyl-3-prop-2-enylurea
SMILESC=CCNC(=O)NCc1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-8-12-11(14)13-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,14)
InChIKeyLZMQZMPFZNZBMK-UHFFFAOYSA-N
XLogP1.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-prop-2-enylurea 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-benzyl-3-prop-2-enylurea?
The IUPAC name of 1-benzyl-3-prop-2-enylurea (CID 17390252) is 1-benzyl-3-prop-2-enylurea.
What is the SMILES notation for 1-benzyl-3-prop-2-enylurea?
The canonical SMILES for 1-benzyl-3-prop-2-enylurea is C=CCNC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-prop-2-enylurea?
The InChIKey is LZMQZMPFZNZBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-8-12-11(14)13-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,14).
What are the key properties of 1-benzyl-3-prop-2-enylurea?
1-benzyl-3-prop-2-enylurea has a molecular weight of 190.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-prop-2-enylurea is sourced from PubChem (CID 17390252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).