4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one

C13H18N2OS — CID 168683544

IUPAC4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC(C)c2nc(C)cs2)C1
InChIInChI=1S/C13H18N2OS/c1-4-11-5-12(16)15(7-11)6-9(2)13-14-10(3)8-17-13/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyQFPVHRAYBHVGNL-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.59
Rot. Bonds4

About 4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one

4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one (PubChem CID 168683544) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one
PubChem CID168683544
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC(C)c2nc(C)cs2)C1
InChIInChI=1S/C13H18N2OS/c1-4-11-5-12(16)15(7-11)6-9(2)13-14-10(3)8-17-13/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyQFPVHRAYBHVGNL-UHFFFAOYSA-N
XLogP2.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one (CID 168683544) is 4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one is C=CC1CC(=O)N(CC(C)c2nc(C)cs2)C1.
What is the InChIKey of 4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one?
The InChIKey is QFPVHRAYBHVGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-11-5-12(16)15(7-11)6-9(2)13-14-10(3)8-17-13/h4,8-9,11H,1,5-7H2,2-3H3.
What are the key properties of 4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one?
4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one has a molecular weight of 250.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 168683544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).