4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one

C22H23NO5 — CID 54729462

IUPAC4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one
SMILESCCC(/C=C/C=C/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O)CO
InChIInChI=1S/C22H23NO5/c1-2-15(14-24)7-5-3-4-6-8-19(26)20-21(27)18(13-23-22(20)28)16-9-11-17(25)12-10-16/h3-13,15,24-25H,2,14H2,1H3,(H2,23,27,28)/b4-3+,7-5+,8-6+
InChIKeyBKSPTJGGAGGDSV-OKWWDJPNSA-N
MW381.43 g/mol
LogP3.32
Rot. Bonds8

About 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one

4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one (PubChem CID 54729462) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one
PubChem CID54729462
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one
SMILESCCC(/C=C/C=C/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O)CO
InChIInChI=1S/C22H23NO5/c1-2-15(14-24)7-5-3-4-6-8-19(26)20-21(27)18(13-23-22(20)28)16-9-11-17(25)12-10-16/h3-13,15,24-25H,2,14H2,1H3,(H2,23,27,28)/b4-3+,7-5+,8-6+
InChIKeyBKSPTJGGAGGDSV-OKWWDJPNSA-N
XLogP3.32
TPSA110.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one (CID 54729462) is 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one is CCC(/C=C/C=C/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O)CO.
What is the InChIKey of 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one?
The InChIKey is BKSPTJGGAGGDSV-OKWWDJPNSA-N. The full InChI is InChI=1S/C22H23NO5/c1-2-15(14-24)7-5-3-4-6-8-19(26)20-21(27)18(13-23-22(20)28)16-9-11-17(25)12-10-16/h3-13,15,24-25H,2,14H2,1H3,(H2,23,27,28)/b4-3+,7-5+,8-6+.
What are the key properties of 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one?
4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one has a molecular weight of 381.43 g/mol, XLogP of 3.32, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 54729462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).