2-cyano-3-(4-methoxyphenyl)but-2-enamide

C12H12N2O2 — CID 5153465

IUPAC2-cyano-3-(4-methoxyphenyl)but-2-enamide
SMILESCOc1ccc(C(C)=C(C#N)C(N)=O)cc1
InChIInChI=1S/C12H12N2O2/c1-8(11(7-13)12(14)15)9-3-5-10(16-2)6-4-9/h3-6H,1-2H3,(H2,14,15)
InChIKeyUQAXYFDKQNPFOU-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.48
Rot. Bonds3

About 2-cyano-3-(4-methoxyphenyl)but-2-enamide

2-cyano-3-(4-methoxyphenyl)but-2-enamide (PubChem CID 5153465) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-cyano-3-(4-methoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(4-methoxyphenyl)but-2-enamide
PubChem CID5153465
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-cyano-3-(4-methoxyphenyl)but-2-enamide
SMILESCOc1ccc(C(C)=C(C#N)C(N)=O)cc1
InChIInChI=1S/C12H12N2O2/c1-8(11(7-13)12(14)15)9-3-5-10(16-2)6-4-9/h3-6H,1-2H3,(H2,14,15)
InChIKeyUQAXYFDKQNPFOU-UHFFFAOYSA-N
XLogP1.48
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyano-3-(4-methoxyphenyl)but-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

Related Compounds

(E)-2-cyano-3-(4-methoxyanilino)but-2-enamide
CID 793537
(E)-2-chloro-3-(4-methoxyphenyl)but-2-enenitrile
CID 6425282
[3-[2-cyano-3,3-bis(4-methoxyphenyl)prop-2-enoyl]oxy-2,2-bis[[2-cyano-3,3-bis(4-methoxyphenyl)prop-2-enoyl]oxymethyl]propyl] 2-cyano-3,3-bis(4-methoxyphenyl)prop-2-enoate
CID 155757367
methyl (Z)-2-cyano-3-methoxy-3-(4-methoxyphenyl)prop-2-enoate
CID 12935020
methyl (E)-3-(4-chlorophenyl)-2-cyanobut-2-enoate
CID 13294495
methyl 3-cyano-2-(4-methoxyphenyl)but-2-enoate
CID 91334689
[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate
CID 139084678
ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
butyl 2-cyano-3-(4-methoxyphenyl)pent-2-enoate
CID 90282550
[(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(4-methoxyphenyl)acetate
CID 6511678
3-(4-methoxyphenyl)-2-sulfanylbut-2-enoic acid
CID 73474272

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(4-methoxyphenyl)but-2-enamide?
The IUPAC name of 2-cyano-3-(4-methoxyphenyl)but-2-enamide (CID 5153465) is 2-cyano-3-(4-methoxyphenyl)but-2-enamide.
What is the SMILES notation for 2-cyano-3-(4-methoxyphenyl)but-2-enamide?
The canonical SMILES for 2-cyano-3-(4-methoxyphenyl)but-2-enamide is COc1ccc(C(C)=C(C#N)C(N)=O)cc1.
What is the InChIKey of 2-cyano-3-(4-methoxyphenyl)but-2-enamide?
The InChIKey is UQAXYFDKQNPFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(11(7-13)12(14)15)9-3-5-10(16-2)6-4-9/h3-6H,1-2H3,(H2,14,15).
What are the key properties of 2-cyano-3-(4-methoxyphenyl)but-2-enamide?
2-cyano-3-(4-methoxyphenyl)but-2-enamide has a molecular weight of 216.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(4-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 5153465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).