2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one

C15H23NO — CID 71324385

IUPAC2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one
SMILESC=CCCCCCCc1cc(=O)c(C)c(C)[nH]1
InChIInChI=1S/C15H23NO/c1-4-5-6-7-8-9-10-14-11-15(17)12(2)13(3)16-14/h4,11H,1,5-10H2,2-3H3,(H,16,17)
InChIKeyBUBCZVZICNROPB-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.67
Rot. Bonds7

About 2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one

2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one (PubChem CID 71324385) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one
PubChem CID71324385
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one
SMILESC=CCCCCCCc1cc(=O)c(C)c(C)[nH]1
InChIInChI=1S/C15H23NO/c1-4-5-6-7-8-9-10-14-11-15(17)12(2)13(3)16-14/h4,11H,1,5-10H2,2-3H3,(H,16,17)
InChIKeyBUBCZVZICNROPB-UHFFFAOYSA-N
XLogP3.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one?
The IUPAC name of 2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one (CID 71324385) is 2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one?
The canonical SMILES for 2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one is C=CCCCCCCc1cc(=O)c(C)c(C)[nH]1.
What is the InChIKey of 2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one?
The InChIKey is BUBCZVZICNROPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-6-7-8-9-10-14-11-15(17)12(2)13(3)16-14/h4,11H,1,5-10H2,2-3H3,(H,16,17).
What are the key properties of 2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one?
2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one has a molecular weight of 233.35 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-oct-7-enyl-1H-pyridin-4-one is sourced from PubChem (CID 71324385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).