2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one

C18H15NO2 — CID 15086700

IUPAC2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one
SMILESCC1(c2ccccc2)OC(/C=C/c2cccnc2)=CC1=O
InChIInChI=1S/C18H15NO2/c1-18(15-7-3-2-4-8-15)17(20)12-16(21-18)10-9-14-6-5-11-19-13-14/h2-13H,1H3/b10-9+
InChIKeyPEZKLHBEHSJXFZ-MDZDMXLPSA-N
MW277.32 g/mol
LogP3.49
Rot. Bonds3

About 2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one

2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one (PubChem CID 15086700) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one.

Molecular Properties

Compound Name2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one
PubChem CID15086700
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one
SMILESCC1(c2ccccc2)OC(/C=C/c2cccnc2)=CC1=O
InChIInChI=1S/C18H15NO2/c1-18(15-7-3-2-4-8-15)17(20)12-16(21-18)10-9-14-6-5-11-19-13-14/h2-13H,1H3/b10-9+
InChIKeyPEZKLHBEHSJXFZ-MDZDMXLPSA-N
XLogP3.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one?
The IUPAC name of 2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one (CID 15086700) is 2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one.
What is the SMILES notation for 2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one?
The canonical SMILES for 2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one is CC1(c2ccccc2)OC(/C=C/c2cccnc2)=CC1=O.
What is the InChIKey of 2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one?
The InChIKey is PEZKLHBEHSJXFZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H15NO2/c1-18(15-7-3-2-4-8-15)17(20)12-16(21-18)10-9-14-6-5-11-19-13-14/h2-13H,1H3/b10-9+.
What are the key properties of 2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one?
2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one has a molecular weight of 277.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one is sourced from PubChem (CID 15086700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).