(5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one

C16H11FN2OS — CID 162676567

IUPAC(5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one
SMILESO=C1C=C(c2ccc(F)cc2)/C(=C/Sc2ccccn2)N1
InChIInChI=1S/C16H11FN2OS/c17-12-6-4-11(5-7-12)13-9-15(20)19-14(13)10-21-16-3-1-2-8-18-16/h1-10H,(H,19,20)/b14-10-
InChIKeyLWIOTBPTXQVFAC-UVTDQMKNSA-N
MW298.34 g/mol
LogP3.37
Rot. Bonds3

About (5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one

(5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one (PubChem CID 162676567) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is (5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one.

Molecular Properties

Compound Name(5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one
PubChem CID162676567
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name(5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one
SMILESO=C1C=C(c2ccc(F)cc2)/C(=C/Sc2ccccn2)N1
InChIInChI=1S/C16H11FN2OS/c17-12-6-4-11(5-7-12)13-9-15(20)19-14(13)10-21-16-3-1-2-8-18-16/h1-10H,(H,19,20)/b14-10-
InChIKeyLWIOTBPTXQVFAC-UVTDQMKNSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one?
The IUPAC name of (5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one (CID 162676567) is (5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one.
What is the SMILES notation for (5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one?
The canonical SMILES for (5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one is O=C1C=C(c2ccc(F)cc2)/C(=C/Sc2ccccn2)N1.
What is the InChIKey of (5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one?
The InChIKey is LWIOTBPTXQVFAC-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-12-6-4-11(5-7-12)13-9-15(20)19-14(13)10-21-16-3-1-2-8-18-16/h1-10H,(H,19,20)/b14-10-.
What are the key properties of (5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one?
(5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one has a molecular weight of 298.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(4-fluorophenyl)-5-(pyridin-2-ylsulfanylmethylidene)pyrrol-2-one is sourced from PubChem (CID 162676567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).