N,N-dimethylprop-2-enamide

C5H9NO — CID 17587

IUPACN,N-dimethylprop-2-enamide
SMILESC=CC(=O)N(C)C
InChIInChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3
InChIKeyYLGYACDQVQQZSW-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.26
Rot. Bonds1

About N,N-dimethylprop-2-enamide

N,N-dimethylprop-2-enamide (PubChem CID 17587) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is N,N-dimethylprop-2-enamide.

Molecular Properties

Compound NameN,N-dimethylprop-2-enamide
PubChem CID17587
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC NameN,N-dimethylprop-2-enamide
SMILESC=CC(=O)N(C)C
InChIInChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3
InChIKeyYLGYACDQVQQZSW-UHFFFAOYSA-N
XLogP0.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethylprop-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 N,N-dimethylprop-2-enamide?
The IUPAC name of N,N-dimethylprop-2-enamide (CID 17587) is N,N-dimethylprop-2-enamide.
What is the SMILES notation for N,N-dimethylprop-2-enamide?
The canonical SMILES for N,N-dimethylprop-2-enamide is C=CC(=O)N(C)C.
What is the InChIKey of N,N-dimethylprop-2-enamide?
The InChIKey is YLGYACDQVQQZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3.
What are the key properties of N,N-dimethylprop-2-enamide?
N,N-dimethylprop-2-enamide has a molecular weight of 99.13 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-enamide is sourced from PubChem (CID 17587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).