but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one

C12H19NO4 — CID 69016110

IUPACbut-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one
SMILESC=CCC(=O)O.C=CN1CCCC1=O.C=CO
InChIInChI=1S/C6H9NO.C4H6O2.C2H4O/c1-2-7-5-3-4-6(7)8;1-2-3-4(5)6;1-2-3/h2H,1,3-5H2;2H,1,3H2,(H,5,6);2-3H,1H2
InChIKeyKEKIEKWQYSMINH-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.09
Rot. Bonds3

About but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one

but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one (PubChem CID 69016110) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Namebut-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one
PubChem CID69016110
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namebut-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one
SMILESC=CCC(=O)O.C=CN1CCCC1=O.C=CO
InChIInChI=1S/C6H9NO.C4H6O2.C2H4O/c1-2-7-5-3-4-6(7)8;1-2-3-4(5)6;1-2-3/h2H,1,3-5H2;2H,1,3H2,(H,5,6);2-3H,1H2
InChIKeyKEKIEKWQYSMINH-UHFFFAOYSA-N
XLogP2.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one 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 but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one?
The IUPAC name of but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one (CID 69016110) is but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one?
The canonical SMILES for but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one is C=CCC(=O)O.C=CN1CCCC1=O.C=CO.
What is the InChIKey of but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one?
The InChIKey is KEKIEKWQYSMINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H6O2.C2H4O/c1-2-7-5-3-4-6(7)8;1-2-3-4(5)6;1-2-3/h2H,1,3-5H2;2H,1,3H2,(H,5,6);2-3H,1H2.
What are the key properties of but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one?
but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoic acid;ethenol;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 69016110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).