(E)-3-(2-methylphenyl)prop-2-enamide

C10H11NO — CID 6438793

IUPAC(E)-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(N)=O
InChIInChI=1S/C10H11NO/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H2,11,12)/b7-6+
InChIKeyGLJWZMYXVRYLPB-VOTSOKGWSA-N
MW161.20 g/mol
LogP1.49
Rot. Bonds2

About (E)-3-(2-methylphenyl)prop-2-enamide

(E)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 6438793) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methylphenyl)prop-2-enamide
PubChem CID6438793
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(E)-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(N)=O
InChIInChI=1S/C10H11NO/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H2,11,12)/b7-6+
InChIKeyGLJWZMYXVRYLPB-VOTSOKGWSA-N
XLogP1.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(2-methylphenyl)prop-2-enamide 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)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methylphenyl)prop-2-enamide (CID 6438793) is (E)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methylphenyl)prop-2-enamide is Cc1ccccc1/C=C/C(N)=O.
What is the InChIKey of (E)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is GLJWZMYXVRYLPB-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H2,11,12)/b7-6+.
What are the key properties of (E)-3-(2-methylphenyl)prop-2-enamide?
(E)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 161.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 6438793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).