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

C11H14N2OS — CID 168685036

IUPAC4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2nc(C)cs2)C1
InChIInChI=1S/C11H14N2OS/c1-3-9-4-11(14)13(5-9)6-10-12-8(2)7-15-10/h3,7,9H,1,4-6H2,2H3
InChIKeyLKJBWSQISKLYFE-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.99
Rot. Bonds3

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

4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one (PubChem CID 168685036) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one
PubChem CID168685036
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2nc(C)cs2)C1
InChIInChI=1S/C11H14N2OS/c1-3-9-4-11(14)13(5-9)6-10-12-8(2)7-15-10/h3,7,9H,1,4-6H2,2H3
InChIKeyLKJBWSQISKLYFE-UHFFFAOYSA-N
XLogP1.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.99
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-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one (CID 168685036) is 4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one is C=CC1CC(=O)N(Cc2nc(C)cs2)C1.
What is the InChIKey of 4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is LKJBWSQISKLYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-9-4-11(14)13(5-9)6-10-12-8(2)7-15-10/h3,7,9H,1,4-6H2,2H3.
What are the key properties of 4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one?
4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 222.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168685036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).