1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid

C12H19NO3 — CID 67876137

IUPAC1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid
SMILESC=CN1CCCC1=O.CC/C=C(\C)C(=O)O
InChIInChI=1S/C6H9NO.C6H10O2/c1-2-7-5-3-4-6(7)8;1-3-4-5(2)6(7)8/h2H,1,3-5H2;4H,3H2,1-2H3,(H,7,8)/b;5-4+
InChIKeyWEZMGKFTOMBNLJ-RCKHEGBHSA-N
MW225.29 g/mol
LogP2.18
Rot. Bonds3

About 1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid

1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid (PubChem CID 67876137) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid
PubChem CID67876137
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid
SMILESC=CN1CCCC1=O.CC/C=C(\C)C(=O)O
InChIInChI=1S/C6H9NO.C6H10O2/c1-2-7-5-3-4-6(7)8;1-3-4-5(2)6(7)8/h2H,1,3-5H2;4H,3H2,1-2H3,(H,7,8)/b;5-4+
InChIKeyWEZMGKFTOMBNLJ-RCKHEGBHSA-N
XLogP2.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid 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 1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid?
The IUPAC name of 1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid (CID 67876137) is 1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid is C=CN1CCCC1=O.CC/C=C(\C)C(=O)O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid?
The InChIKey is WEZMGKFTOMBNLJ-RCKHEGBHSA-N. The full InChI is InChI=1S/C6H9NO.C6H10O2/c1-2-7-5-3-4-6(7)8;1-3-4-5(2)6(7)8/h2H,1,3-5H2;4H,3H2,1-2H3,(H,7,8)/b;5-4+.
What are the key properties of 1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid?
1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid has a molecular weight of 225.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;(E)-2-methylpent-2-enoic acid is sourced from PubChem (CID 67876137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).