2-methyl-N-methylidenepropanamide

C5H9NO — CID 13050063

IUPAC2-methyl-N-methylidenepropanamide
SMILESC=NC(=O)C(C)C
InChIInChI=1S/C5H9NO/c1-4(2)5(7)6-3/h4H,3H2,1-2H3
InChIKeyRKPFEYLCHBEVAO-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.87
Rot. Bonds1

About 2-methyl-N-methylidenepropanamide

2-methyl-N-methylidenepropanamide (PubChem CID 13050063) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-methyl-N-methylidenepropanamide.

Molecular Properties

Compound Name2-methyl-N-methylidenepropanamide
PubChem CID13050063
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-methyl-N-methylidenepropanamide
SMILESC=NC(=O)C(C)C
InChIInChI=1S/C5H9NO/c1-4(2)5(7)6-3/h4H,3H2,1-2H3
InChIKeyRKPFEYLCHBEVAO-UHFFFAOYSA-N
XLogP0.87
TPSA29.43 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 ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-methylidenepropanamide?
The IUPAC name of 2-methyl-N-methylidenepropanamide (CID 13050063) is 2-methyl-N-methylidenepropanamide.
What is the SMILES notation for 2-methyl-N-methylidenepropanamide?
The canonical SMILES for 2-methyl-N-methylidenepropanamide is C=NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-methylidenepropanamide?
The InChIKey is RKPFEYLCHBEVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4(2)5(7)6-3/h4H,3H2,1-2H3.
What are the key properties of 2-methyl-N-methylidenepropanamide?
2-methyl-N-methylidenepropanamide has a molecular weight of 99.13 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-methylidenepropanamide is sourced from PubChem (CID 13050063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).