2-methyl-6-undecyl-1H-pyridin-4-one

C17H29NO — CID 10945282

IUPAC2-methyl-6-undecyl-1H-pyridin-4-one
SMILESCCCCCCCCCCCc1cc(=O)cc(C)[nH]1
InChIInChI=1S/C17H29NO/c1-3-4-5-6-7-8-9-10-11-12-16-14-17(19)13-15(2)18-16/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyUGHAXRIHVOUASL-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.76
Rot. Bonds10

About 2-methyl-6-undecyl-1H-pyridin-4-one

2-methyl-6-undecyl-1H-pyridin-4-one (PubChem CID 10945282) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-methyl-6-undecyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-6-undecyl-1H-pyridin-4-one
PubChem CID10945282
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-methyl-6-undecyl-1H-pyridin-4-one
SMILESCCCCCCCCCCCc1cc(=O)cc(C)[nH]1
InChIInChI=1S/C17H29NO/c1-3-4-5-6-7-8-9-10-11-12-16-14-17(19)13-15(2)18-16/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyUGHAXRIHVOUASL-UHFFFAOYSA-N
XLogP4.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-undecyl-1H-pyridin-4-one?
The IUPAC name of 2-methyl-6-undecyl-1H-pyridin-4-one (CID 10945282) is 2-methyl-6-undecyl-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-6-undecyl-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-6-undecyl-1H-pyridin-4-one is CCCCCCCCCCCc1cc(=O)cc(C)[nH]1.
What is the InChIKey of 2-methyl-6-undecyl-1H-pyridin-4-one?
The InChIKey is UGHAXRIHVOUASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-4-5-6-7-8-9-10-11-12-16-14-17(19)13-15(2)18-16/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-6-undecyl-1H-pyridin-4-one?
2-methyl-6-undecyl-1H-pyridin-4-one has a molecular weight of 263.42 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-undecyl-1H-pyridin-4-one is sourced from PubChem (CID 10945282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).