(Z)-N,2-dimethylbut-2-enamide

C6H11NO — CID 22846678

IUPAC(Z)-N,2-dimethylbut-2-enamide
SMILESC/C=C(/C)C(=O)NC
InChIInChI=1S/C6H11NO/c1-4-5(2)6(8)7-3/h4H,1-3H3,(H,7,8)/b5-4-
InChIKeyMREZLUJXFNFQIH-PLNGDYQASA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds1

About (Z)-N,2-dimethylbut-2-enamide

(Z)-N,2-dimethylbut-2-enamide (PubChem CID 22846678) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-N,2-dimethylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N,2-dimethylbut-2-enamide
PubChem CID22846678
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(Z)-N,2-dimethylbut-2-enamide
SMILESC/C=C(/C)C(=O)NC
InChIInChI=1S/C6H11NO/c1-4-5(2)6(8)7-3/h4H,1-3H3,(H,7,8)/b5-4-
InChIKeyMREZLUJXFNFQIH-PLNGDYQASA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N,2-dimethylbut-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 (Z)-N,2-dimethylbut-2-enamide?
The IUPAC name of (Z)-N,2-dimethylbut-2-enamide (CID 22846678) is (Z)-N,2-dimethylbut-2-enamide.
What is the SMILES notation for (Z)-N,2-dimethylbut-2-enamide?
The canonical SMILES for (Z)-N,2-dimethylbut-2-enamide is C/C=C(/C)C(=O)NC.
What is the InChIKey of (Z)-N,2-dimethylbut-2-enamide?
The InChIKey is MREZLUJXFNFQIH-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NO/c1-4-5(2)6(8)7-3/h4H,1-3H3,(H,7,8)/b5-4-.
What are the key properties of (Z)-N,2-dimethylbut-2-enamide?
(Z)-N,2-dimethylbut-2-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-dimethylbut-2-enamide is sourced from PubChem (CID 22846678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).