N-methylprop-2-enamide

C4H7NO — CID 14471

IUPACN-methylprop-2-enamide
SMILESC=CC(=O)NC
InChIInChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)
InChIKeyYPHQUSNPXDGUHL-UHFFFAOYSA-N
MW85.11 g/mol
LogP-0.08
Rot. Bonds1

About N-methylprop-2-enamide

N-methylprop-2-enamide (PubChem CID 14471) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is N-methylprop-2-enamide.

Molecular Properties

Compound NameN-methylprop-2-enamide
PubChem CID14471
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC NameN-methylprop-2-enamide
SMILESC=CC(=O)NC
InChIInChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)
InChIKeyYPHQUSNPXDGUHL-UHFFFAOYSA-N
XLogP-0.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylprop-2-enamide?
The IUPAC name of N-methylprop-2-enamide (CID 14471) is N-methylprop-2-enamide.
What is the SMILES notation for N-methylprop-2-enamide?
The canonical SMILES for N-methylprop-2-enamide is C=CC(=O)NC.
What is the InChIKey of N-methylprop-2-enamide?
The InChIKey is YPHQUSNPXDGUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6).
What are the key properties of N-methylprop-2-enamide?
N-methylprop-2-enamide has a molecular weight of 85.11 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-enamide is sourced from PubChem (CID 14471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).