N-methylprop-2-ynamide

C4H5NO — CID 15208558

IUPACN-methylprop-2-ynamide
SMILESC#CC(=O)NC
InChIInChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)
InChIKeyWBVNBTCOCIGBDL-UHFFFAOYSA-N
MW83.09 g/mol
LogP-0.63
Rot. Bonds

About N-methylprop-2-ynamide

N-methylprop-2-ynamide (PubChem CID 15208558) has the molecular formula C4H5NO and a molecular weight of 83.09 g/mol. Its IUPAC name is N-methylprop-2-ynamide.

Molecular Properties

Compound NameN-methylprop-2-ynamide
PubChem CID15208558
Molecular FormulaC4H5NO
Molecular Weight83.09 g/mol
Exact Mass83.04
IUPAC NameN-methylprop-2-ynamide
SMILESC#CC(=O)NC
InChIInChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)
InChIKeyWBVNBTCOCIGBDL-UHFFFAOYSA-N
XLogP-0.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methylprop-2-ynamide 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-methylprop-2-ynamide?
The IUPAC name of N-methylprop-2-ynamide (CID 15208558) is N-methylprop-2-ynamide.
What is the SMILES notation for N-methylprop-2-ynamide?
The canonical SMILES for N-methylprop-2-ynamide is C#CC(=O)NC.
What is the InChIKey of N-methylprop-2-ynamide?
The InChIKey is WBVNBTCOCIGBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6).
What are the key properties of N-methylprop-2-ynamide?
N-methylprop-2-ynamide has a molecular weight of 83.09 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-ynamide is sourced from PubChem (CID 15208558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).