4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one

C14H14N2O2S — CID 168684485

IUPAC4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc3cc(OC)ccc3s2)C1
InChIInChI=1S/C14H14N2O2S/c1-3-9-6-13(17)16(8-9)14-15-11-7-10(18-2)4-5-12(11)19-14/h3-5,7,9H,1,6,8H2,2H3
InChIKeyZAADFNKZYWXKGM-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.84
Rot. Bonds3

About 4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one

4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one (PubChem CID 168684485) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
PubChem CID168684485
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc3cc(OC)ccc3s2)C1
InChIInChI=1S/C14H14N2O2S/c1-3-9-6-13(17)16(8-9)14-15-11-7-10(18-2)4-5-12(11)19-14/h3-5,7,9H,1,6,8H2,2H3
InChIKeyZAADFNKZYWXKGM-UHFFFAOYSA-N
XLogP2.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one (CID 168684485) is 4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one is C=CC1CC(=O)N(c2nc3cc(OC)ccc3s2)C1.
What is the InChIKey of 4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one?
The InChIKey is ZAADFNKZYWXKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-3-9-6-13(17)16(8-9)14-15-11-7-10(18-2)4-5-12(11)19-14/h3-5,7,9H,1,6,8H2,2H3.
What are the key properties of 4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one?
4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one has a molecular weight of 274.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168684485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).