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

C19H17NO2 — CID 5291045

IUPAC(3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one
SMILESCC(C)c1ccc(C2=C/C(=C/c3cccnc3)C(=O)O2)cc1
InChIInChI=1S/C19H17NO2/c1-13(2)15-5-7-16(8-6-15)18-11-17(19(21)22-18)10-14-4-3-9-20-12-14/h3-13H,1-2H3/b17-10-
InChIKeyWSVWGTBOVTZBQL-YVLHZVERSA-N
MW291.35 g/mol
LogP4.19
Rot. Bonds3

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

(3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one (PubChem CID 5291045) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name(3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one
PubChem CID5291045
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one
SMILESCC(C)c1ccc(C2=C/C(=C/c3cccnc3)C(=O)O2)cc1
InChIInChI=1S/C19H17NO2/c1-13(2)15-5-7-16(8-6-15)18-11-17(19(21)22-18)10-14-4-3-9-20-12-14/h3-13H,1-2H3/b17-10-
InChIKeyWSVWGTBOVTZBQL-YVLHZVERSA-N
XLogP4.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.19
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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Related Compounds

Ibuprofen Piconol
CID 3673
Oky-1581
CID 23663937
4-Pyridin-3-yl-benzoic acid
CID 1515244
(4-Tert-butyl-2,6-dimethylphenyl)methyl pyridine-3-carboxylate
CID 2361914
(2,6-Diethylphenyl)(3-pyridinyl)methyl acetate
CID 5236931
1-(4-Methoxycarbonyl-benzyl)-pyridinium
CID 23724200
2-phenyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one
CID 1551558
4-Pyridin-3-ylmethylene-2-m-tolyl-4H-oxazol-5-one
CID 5285453
(E)-2-methyl-3-[4-(1-pyridin-3-ylethyl)phenyl]prop-2-enoic acid;hydrochloride
CID 12904594
(3Z)-5-(4-chlorophenyl)-3-(pyridin-3-ylmethylene)furan-2(3H)-one
CID 2230845
Decyl isonicotinate
CID 531659
Methyl 4-(4-pyridinyl)benzoate
CID 5152686

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one?
The IUPAC name of (3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one (CID 5291045) is (3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one.
What is the SMILES notation for (3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one?
The canonical SMILES for (3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one is CC(C)c1ccc(C2=C/C(=C/c3cccnc3)C(=O)O2)cc1.
What is the InChIKey of (3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one?
The InChIKey is WSVWGTBOVTZBQL-YVLHZVERSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13(2)15-5-7-16(8-6-15)18-11-17(19(21)22-18)10-14-4-3-9-20-12-14/h3-13H,1-2H3/b17-10-.
What are the key properties of (3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one?
(3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one has a molecular weight of 291.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethylidene)furan-2-one is sourced from PubChem (CID 5291045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).