4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one

C8H10N4OS — CID 168685142

IUPAC4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc(=S)[nH][nH]2)C1
InChIInChI=1S/C8H10N4OS/c1-2-5-3-6(13)12(4-5)7-9-8(14)11-10-7/h2,5H,1,3-4H2,(H2,9,10,11,14)
InChIKeyQQZGCPBTDJRFMC-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.01
Rot. Bonds2

About 4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one

4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one (PubChem CID 168685142) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one
PubChem CID168685142
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc(=S)[nH][nH]2)C1
InChIInChI=1S/C8H10N4OS/c1-2-5-3-6(13)12(4-5)7-9-8(14)11-10-7/h2,5H,1,3-4H2,(H2,9,10,11,14)
InChIKeyQQZGCPBTDJRFMC-UHFFFAOYSA-N
XLogP1.01
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one (CID 168685142) is 4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one is C=CC1CC(=O)N(c2nc(=S)[nH][nH]2)C1.
What is the InChIKey of 4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The InChIKey is QQZGCPBTDJRFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-2-5-3-6(13)12(4-5)7-9-8(14)11-10-7/h2,5H,1,3-4H2,(H2,9,10,11,14).
What are the key properties of 4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one?
4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one has a molecular weight of 210.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168685142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).