4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one

C18H29NO2 — CID 54712756

IUPAC4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one
SMILESCCCCC/C(C)=C/Cc1[nH]c(=O)c(C)c(O)c1CCC
InChIInChI=1S/C18H29NO2/c1-5-7-8-10-13(3)11-12-16-15(9-6-2)17(20)14(4)18(21)19-16/h11H,5-10,12H2,1-4H3,(H2,19,20,21)/b13-11+
InChIKeyVICBRJCQEHYYSJ-ACCUITESSA-N
MW291.44 g/mol
LogP4.41
Rot. Bonds8

About 4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one

4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one (PubChem CID 54712756) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one
PubChem CID54712756
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one
SMILESCCCCC/C(C)=C/Cc1[nH]c(=O)c(C)c(O)c1CCC
InChIInChI=1S/C18H29NO2/c1-5-7-8-10-13(3)11-12-16-15(9-6-2)17(20)14(4)18(21)19-16/h11H,5-10,12H2,1-4H3,(H2,19,20,21)/b13-11+
InChIKeyVICBRJCQEHYYSJ-ACCUITESSA-N
XLogP4.41
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-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-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one (CID 54712756) is 4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one is CCCCC/C(C)=C/Cc1[nH]c(=O)c(C)c(O)c1CCC.
What is the InChIKey of 4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one?
The InChIKey is VICBRJCQEHYYSJ-ACCUITESSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-7-8-10-13(3)11-12-16-15(9-6-2)17(20)14(4)18(21)19-16/h11H,5-10,12H2,1-4H3,(H2,19,20,21)/b13-11+.
What are the key properties of 4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one?
4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one has a molecular weight of 291.44 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-6-[(E)-3-methyloct-2-enyl]-5-propyl-1H-pyridin-2-one is sourced from PubChem (CID 54712756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).