2-cyano-4,4-dimethylpent-2-enamide

C8H12N2O — CID 142719396

IUPAC2-cyano-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)C=C(C#N)C(N)=O
InChIInChI=1S/C8H12N2O/c1-8(2,3)4-6(5-9)7(10)11/h4H,1-3H3,(H2,10,11)
InChIKeyRSNYYVBQGUMEKL-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.97
Rot. Bonds1

About 2-cyano-4,4-dimethylpent-2-enamide

2-cyano-4,4-dimethylpent-2-enamide (PubChem CID 142719396) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-cyano-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name2-cyano-4,4-dimethylpent-2-enamide
PubChem CID142719396
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-cyano-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)C=C(C#N)C(N)=O
InChIInChI=1S/C8H12N2O/c1-8(2,3)4-6(5-9)7(10)11/h4H,1-3H3,(H2,10,11)
InChIKeyRSNYYVBQGUMEKL-UHFFFAOYSA-N
XLogP0.97
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyano-4,4-dimethylpent-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 2-cyano-4,4-dimethylpent-2-enamide?
The IUPAC name of 2-cyano-4,4-dimethylpent-2-enamide (CID 142719396) is 2-cyano-4,4-dimethylpent-2-enamide.
What is the SMILES notation for 2-cyano-4,4-dimethylpent-2-enamide?
The canonical SMILES for 2-cyano-4,4-dimethylpent-2-enamide is CC(C)(C)C=C(C#N)C(N)=O.
What is the InChIKey of 2-cyano-4,4-dimethylpent-2-enamide?
The InChIKey is RSNYYVBQGUMEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(2,3)4-6(5-9)7(10)11/h4H,1-3H3,(H2,10,11).
What are the key properties of 2-cyano-4,4-dimethylpent-2-enamide?
2-cyano-4,4-dimethylpent-2-enamide has a molecular weight of 152.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 142719396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).