2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one

C12H13NO2 — CID 138539261

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one
SMILESC=C/C=C(\C=C/C)c1cc(=O)c(O)c[nH]1
InChIInChI=1S/C12H13NO2/c1-3-5-9(6-4-2)10-7-11(14)12(15)8-13-10/h3-8,15H,1H2,2H3,(H,13,14)/b6-4-,9-5+
InChIKeyFRPXZNPUGKAMED-QUNSIMLLSA-N
MW203.24 g/mol
LogP2.23
Rot. Bonds3

About 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one (PubChem CID 138539261) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one
PubChem CID138539261
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one
SMILESC=C/C=C(\C=C/C)c1cc(=O)c(O)c[nH]1
InChIInChI=1S/C12H13NO2/c1-3-5-9(6-4-2)10-7-11(14)12(15)8-13-10/h3-8,15H,1H2,2H3,(H,13,14)/b6-4-,9-5+
InChIKeyFRPXZNPUGKAMED-QUNSIMLLSA-N
XLogP2.23
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 131977212

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one (CID 138539261) is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one is C=C/C=C(\C=C/C)c1cc(=O)c(O)c[nH]1.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one?
The InChIKey is FRPXZNPUGKAMED-QUNSIMLLSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-5-9(6-4-2)10-7-11(14)12(15)8-13-10/h3-8,15H,1H2,2H3,(H,13,14)/b6-4-,9-5+.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one?
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one has a molecular weight of 203.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 138539261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).