7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one

C16H13NO2 — CID 53321035

IUPAC7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESO=C1CCOc2nc(/C=C/c3ccccc3)ccc21
InChIInChI=1S/C16H13NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h1-9H,10-11H2/b7-6+
InChIKeySCGMBYSQQNHWDV-VOTSOKGWSA-N
MW251.29 g/mol
LogP3.22
Rot. Bonds2

About 7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one

7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one (PubChem CID 53321035) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one
PubChem CID53321035
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESO=C1CCOc2nc(/C=C/c3ccccc3)ccc21
InChIInChI=1S/C16H13NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h1-9H,10-11H2/b7-6+
InChIKeySCGMBYSQQNHWDV-VOTSOKGWSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The IUPAC name of 7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one (CID 53321035) is 7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one is O=C1CCOc2nc(/C=C/c3ccccc3)ccc21.
What is the InChIKey of 7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The InChIKey is SCGMBYSQQNHWDV-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h1-9H,10-11H2/b7-6+.
What are the key properties of 7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one?
7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one has a molecular weight of 251.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-phenylethenyl]-2,3-dihydropyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 53321035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).