(5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one

C14H14N2O2S — CID 5470560

IUPAC(5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one
SMILESC=CCSC1=N/C(=C\c2ccco2)C(=O)N1CC=C
InChIInChI=1S/C14H14N2O2S/c1-3-7-16-13(17)12(10-11-6-5-8-18-11)15-14(16)19-9-4-2/h3-6,8,10H,1-2,7,9H2/b12-10-
InChIKeyWWEURECFVGGPJR-BENRWUELSA-N
MW274.35 g/mol
LogP2.92
Rot. Bonds5

About (5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one

(5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one (PubChem CID 5470560) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one
PubChem CID5470560
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one
SMILESC=CCSC1=N/C(=C\c2ccco2)C(=O)N1CC=C
InChIInChI=1S/C14H14N2O2S/c1-3-7-16-13(17)12(10-11-6-5-8-18-11)15-14(16)19-9-4-2/h3-6,8,10H,1-2,7,9H2/b12-10-
InChIKeyWWEURECFVGGPJR-BENRWUELSA-N
XLogP2.92
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one (CID 5470560) is (5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one is C=CCSC1=N/C(=C\c2ccco2)C(=O)N1CC=C.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one?
The InChIKey is WWEURECFVGGPJR-BENRWUELSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-3-7-16-13(17)12(10-11-6-5-8-18-11)15-14(16)19-9-4-2/h3-6,8,10H,1-2,7,9H2/b12-10-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one?
(5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one has a molecular weight of 274.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one is sourced from PubChem (CID 5470560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).