N,2-dimethyl-3-methylidene-4-oxopentanamide

C8H13NO2 — CID 23452254

IUPACN,2-dimethyl-3-methylidene-4-oxopentanamide
SMILESC=C(C(C)=O)C(C)C(=O)NC
InChIInChI=1S/C8H13NO2/c1-5(7(3)10)6(2)8(11)9-4/h6H,1H2,2-4H3,(H,9,11)
InChIKeyIXKGCGGCYYNZAB-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.51
Rot. Bonds3

About N,2-dimethyl-3-methylidene-4-oxopentanamide

N,2-dimethyl-3-methylidene-4-oxopentanamide (PubChem CID 23452254) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N,2-dimethyl-3-methylidene-4-oxopentanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-methylidene-4-oxopentanamide
PubChem CID23452254
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN,2-dimethyl-3-methylidene-4-oxopentanamide
SMILESC=C(C(C)=O)C(C)C(=O)NC
InChIInChI=1S/C8H13NO2/c1-5(7(3)10)6(2)8(11)9-4/h6H,1H2,2-4H3,(H,9,11)
InChIKeyIXKGCGGCYYNZAB-UHFFFAOYSA-N
XLogP0.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-3-methylidene-4-oxopentanamide 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,2-dimethyl-3-methylidene-4-oxopentanamide?
The IUPAC name of N,2-dimethyl-3-methylidene-4-oxopentanamide (CID 23452254) is N,2-dimethyl-3-methylidene-4-oxopentanamide.
What is the SMILES notation for N,2-dimethyl-3-methylidene-4-oxopentanamide?
The canonical SMILES for N,2-dimethyl-3-methylidene-4-oxopentanamide is C=C(C(C)=O)C(C)C(=O)NC.
What is the InChIKey of N,2-dimethyl-3-methylidene-4-oxopentanamide?
The InChIKey is IXKGCGGCYYNZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(7(3)10)6(2)8(11)9-4/h6H,1H2,2-4H3,(H,9,11).
What are the key properties of N,2-dimethyl-3-methylidene-4-oxopentanamide?
N,2-dimethyl-3-methylidene-4-oxopentanamide has a molecular weight of 155.20 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-methylidene-4-oxopentanamide is sourced from PubChem (CID 23452254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).