1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone

C13H15NO — CID 139472664

IUPAC1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone
SMILESC=C(C)c1cc(C(=C)N)cc(C(C)=O)c1
InChIInChI=1S/C13H15NO/c1-8(2)11-5-12(9(3)14)7-13(6-11)10(4)15/h5-7H,1,3,14H2,2,4H3
InChIKeyWAMIBOKQCHHTAE-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.85
Rot. Bonds3

About 1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone

1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone (PubChem CID 139472664) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone
PubChem CID139472664
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone
SMILESC=C(C)c1cc(C(=C)N)cc(C(C)=O)c1
InChIInChI=1S/C13H15NO/c1-8(2)11-5-12(9(3)14)7-13(6-11)10(4)15/h5-7H,1,3,14H2,2,4H3
InChIKeyWAMIBOKQCHHTAE-UHFFFAOYSA-N
XLogP2.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone 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-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone?
The IUPAC name of 1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone (CID 139472664) is 1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone.
What is the SMILES notation for 1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone?
The canonical SMILES for 1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone is C=C(C)c1cc(C(=C)N)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone?
The InChIKey is WAMIBOKQCHHTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-8(2)11-5-12(9(3)14)7-13(6-11)10(4)15/h5-7H,1,3,14H2,2,4H3.
What are the key properties of 1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone?
1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone has a molecular weight of 201.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethenyl)-5-prop-1-en-2-ylphenyl]ethanone is sourced from PubChem (CID 139472664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).