2,4-dicyanopent-4-enoic acid

C7H6N2O2 — CID 14709476

IUPAC2,4-dicyanopent-4-enoic acid
SMILESC=C(C#N)CC(C#N)C(=O)O
InChIInChI=1S/C7H6N2O2/c1-5(3-8)2-6(4-9)7(10)11/h6H,1-2H2,(H,10,11)
InChIKeyWAAWOOINFKDWRI-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.68
Rot. Bonds3

About 2,4-dicyanopent-4-enoic acid

2,4-dicyanopent-4-enoic acid (PubChem CID 14709476) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 2,4-dicyanopent-4-enoic acid.

Molecular Properties

Compound Name2,4-dicyanopent-4-enoic acid
PubChem CID14709476
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name2,4-dicyanopent-4-enoic acid
SMILESC=C(C#N)CC(C#N)C(=O)O
InChIInChI=1S/C7H6N2O2/c1-5(3-8)2-6(4-9)7(10)11/h6H,1-2H2,(H,10,11)
InChIKeyWAAWOOINFKDWRI-UHFFFAOYSA-N
XLogP0.68
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dicyanopent-4-enoic acid 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

2-cyanobutanedioic acid;prop-1-ene
CID 87687886
4-acetyl-2,6-dimethylideneheptanedinitrile
CID 54762673
2,9-dicyanodecanedioic acid
CID 88775041
2-cyano-4,4-dimethylpentanoic acid
CID 14883541
2-cyano-3-(methylamino)propanoic acid
CID 83694217
5-[bis(2-hydroxyethyl)amino]-2-cyanopentanoic acid
CID 175180977
2-cyanononadecanoic acid
CID 87316687
2-cyanoheptadecanoic acid
CID 87316675
azane;2-cyanoundecanoic acid
CID 174447184
3,3-dicyanopropanoic acid
CID 22288491
2-amino-3-hydroxypropanoic acid;2-methylidenepropanedinitrile
CID 175077443
(4S)-4-hydroxy-5,5-dimethoxy-2-methylidenepentanenitrile
CID 11423836

Frequently Asked Questions

What is the IUPAC name of 2,4-dicyanopent-4-enoic acid?
The IUPAC name of 2,4-dicyanopent-4-enoic acid (CID 14709476) is 2,4-dicyanopent-4-enoic acid.
What is the SMILES notation for 2,4-dicyanopent-4-enoic acid?
The canonical SMILES for 2,4-dicyanopent-4-enoic acid is C=C(C#N)CC(C#N)C(=O)O.
What is the InChIKey of 2,4-dicyanopent-4-enoic acid?
The InChIKey is WAAWOOINFKDWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-5(3-8)2-6(4-9)7(10)11/h6H,1-2H2,(H,10,11).
What are the key properties of 2,4-dicyanopent-4-enoic acid?
2,4-dicyanopent-4-enoic acid has a molecular weight of 150.14 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyanopent-4-enoic acid is sourced from PubChem (CID 14709476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).