methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate

C10H15NO3 — CID 5370216

IUPACmethyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate
SMILESCOC(=O)CCC(=O)/C=C1\CCCN1
InChIInChI=1S/C10H15NO3/c1-14-10(13)5-4-9(12)7-8-3-2-6-11-8/h7,11H,2-6H2,1H3/b8-7+
InChIKeyGGYOIZGMHLSVRX-BQYQJAHWSA-N
MW197.23 g/mol
LogP0.78
Rot. Bonds4

About methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate

methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate (PubChem CID 5370216) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate.

Molecular Properties

Compound Namemethyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate
PubChem CID5370216
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate
SMILESCOC(=O)CCC(=O)/C=C1\CCCN1
InChIInChI=1S/C10H15NO3/c1-14-10(13)5-4-9(12)7-8-3-2-6-11-8/h7,11H,2-6H2,1H3/b8-7+
InChIKeyGGYOIZGMHLSVRX-BQYQJAHWSA-N
XLogP0.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate 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 (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate?
The IUPAC name of methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate (CID 5370216) is methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate.
What is the SMILES notation for methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate?
The canonical SMILES for methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate is COC(=O)CCC(=O)/C=C1\CCCN1.
What is the InChIKey of methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate?
The InChIKey is GGYOIZGMHLSVRX-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-10(13)5-4-9(12)7-8-3-2-6-11-8/h7,11H,2-6H2,1H3/b8-7+.
What are the key properties of methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate?
methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate has a molecular weight of 197.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5E)-4-oxo-5-pyrrolidin-2-ylidenepentanoate is sourced from PubChem (CID 5370216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).