3-(2-cyano-6-methylphenyl)prop-2-enamide

C11H10N2O — CID 169481801

IUPAC3-(2-cyano-6-methylphenyl)prop-2-enamide
SMILESCc1cccc(C#N)c1C=CC(N)=O
InChIInChI=1S/C11H10N2O/c1-8-3-2-4-9(7-12)10(8)5-6-11(13)14/h2-6H,1H3,(H2,13,14)
InChIKeySNQMFXKUXWSSHW-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.37
Rot. Bonds2

About 3-(2-cyano-6-methylphenyl)prop-2-enamide

3-(2-cyano-6-methylphenyl)prop-2-enamide (PubChem CID 169481801) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(2-cyano-6-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-cyano-6-methylphenyl)prop-2-enamide
PubChem CID169481801
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3-(2-cyano-6-methylphenyl)prop-2-enamide
SMILESCc1cccc(C#N)c1C=CC(N)=O
InChIInChI=1S/C11H10N2O/c1-8-3-2-4-9(7-12)10(8)5-6-11(13)14/h2-6H,1H3,(H2,13,14)
InChIKeySNQMFXKUXWSSHW-UHFFFAOYSA-N
XLogP1.37
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-cyano-6-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 3-(2-cyano-6-methylphenyl)prop-2-enamide?
The IUPAC name of 3-(2-cyano-6-methylphenyl)prop-2-enamide (CID 169481801) is 3-(2-cyano-6-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-cyano-6-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-(2-cyano-6-methylphenyl)prop-2-enamide is Cc1cccc(C#N)c1C=CC(N)=O.
What is the InChIKey of 3-(2-cyano-6-methylphenyl)prop-2-enamide?
The InChIKey is SNQMFXKUXWSSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-3-2-4-9(7-12)10(8)5-6-11(13)14/h2-6H,1H3,(H2,13,14).
What are the key properties of 3-(2-cyano-6-methylphenyl)prop-2-enamide?
3-(2-cyano-6-methylphenyl)prop-2-enamide has a molecular weight of 186.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyano-6-methylphenyl)prop-2-enamide is sourced from PubChem (CID 169481801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).