methyl 2-methylidene-4-oxopentanoate

C7H10O3 — CID 11367048

IUPACmethyl 2-methylidene-4-oxopentanoate
SMILESC=C(CC(C)=O)C(=O)OC
InChIInChI=1S/C7H10O3/c1-5(4-6(2)8)7(9)10-3/h1,4H2,2-3H3
InChIKeyWJVHTHZCFNOIIM-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.69
Rot. Bonds3

About methyl 2-methylidene-4-oxopentanoate

methyl 2-methylidene-4-oxopentanoate (PubChem CID 11367048) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl 2-methylidene-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 2-methylidene-4-oxopentanoate
PubChem CID11367048
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl 2-methylidene-4-oxopentanoate
SMILESC=C(CC(C)=O)C(=O)OC
InChIInChI=1S/C7H10O3/c1-5(4-6(2)8)7(9)10-3/h1,4H2,2-3H3
InChIKeyWJVHTHZCFNOIIM-UHFFFAOYSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-methylidene-4-oxopentanoate 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 methyl 2-methylidene-4-oxopentanoate?
The IUPAC name of methyl 2-methylidene-4-oxopentanoate (CID 11367048) is methyl 2-methylidene-4-oxopentanoate.
What is the SMILES notation for methyl 2-methylidene-4-oxopentanoate?
The canonical SMILES for methyl 2-methylidene-4-oxopentanoate is C=C(CC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-methylidene-4-oxopentanoate?
The InChIKey is WJVHTHZCFNOIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(4-6(2)8)7(9)10-3/h1,4H2,2-3H3.
What are the key properties of methyl 2-methylidene-4-oxopentanoate?
methyl 2-methylidene-4-oxopentanoate has a molecular weight of 142.15 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-4-oxopentanoate is sourced from PubChem (CID 11367048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).