N-propylidenepropanamide

C6H11NO — CID 59964212

IUPACN-propylidenepropanamide
SMILESCC/C=N/C(=O)CC
InChIInChI=1S/C6H11NO/c1-3-5-7-6(8)4-2/h5H,3-4H2,1-2H3/b7-5+
InChIKeyMKWQUZVPQVURLH-FNORWQNLSA-N
MW113.16 g/mol
LogP1.40
Rot. Bonds2

About N-propylidenepropanamide

N-propylidenepropanamide (PubChem CID 59964212) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-propylidenepropanamide.

Molecular Properties

Compound NameN-propylidenepropanamide
PubChem CID59964212
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-propylidenepropanamide
SMILESCC/C=N/C(=O)CC
InChIInChI=1S/C6H11NO/c1-3-5-7-6(8)4-2/h5H,3-4H2,1-2H3/b7-5+
InChIKeyMKWQUZVPQVURLH-FNORWQNLSA-N
XLogP1.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-propylidenepropanamide 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-propylidenepropanamide?
The IUPAC name of N-propylidenepropanamide (CID 59964212) is N-propylidenepropanamide.
What is the SMILES notation for N-propylidenepropanamide?
The canonical SMILES for N-propylidenepropanamide is CC/C=N/C(=O)CC.
What is the InChIKey of N-propylidenepropanamide?
The InChIKey is MKWQUZVPQVURLH-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-5-7-6(8)4-2/h5H,3-4H2,1-2H3/b7-5+.
What are the key properties of N-propylidenepropanamide?
N-propylidenepropanamide has a molecular weight of 113.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylidenepropanamide is sourced from PubChem (CID 59964212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).