(3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one

C17H13NO2 — CID 5287142

IUPAC(3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one
SMILESCc1ccc(C2=C/C(=C/c3ccccn3)C(=O)O2)cc1
InChIInChI=1S/C17H13NO2/c1-12-5-7-13(8-6-12)16-11-14(17(19)20-16)10-15-4-2-3-9-18-15/h2-11H,1H3/b14-10-
InChIKeyUIUFJWIWXFYNGO-UVTDQMKNSA-N
MW263.30 g/mol
LogP3.37
Rot. Bonds2

About (3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one

(3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one (PubChem CID 5287142) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name(3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one
PubChem CID5287142
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one
SMILESCc1ccc(C2=C/C(=C/c3ccccn3)C(=O)O2)cc1
InChIInChI=1S/C17H13NO2/c1-12-5-7-13(8-6-12)16-11-14(17(19)20-16)10-15-4-2-3-9-18-15/h2-11H,1H3/b14-10-
InChIKeyUIUFJWIWXFYNGO-UVTDQMKNSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one?
The IUPAC name of (3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one (CID 5287142) is (3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one.
What is the SMILES notation for (3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one?
The canonical SMILES for (3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one is Cc1ccc(C2=C/C(=C/c3ccccn3)C(=O)O2)cc1.
What is the InChIKey of (3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one?
The InChIKey is UIUFJWIWXFYNGO-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H13NO2/c1-12-5-7-13(8-6-12)16-11-14(17(19)20-16)10-15-4-2-3-9-18-15/h2-11H,1H3/b14-10-.
What are the key properties of (3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one?
(3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one has a molecular weight of 263.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-methylphenyl)-3-(pyridin-2-ylmethylidene)furan-2-one is sourced from PubChem (CID 5287142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).