1,4-dimethyl-6-tridecylpyridin-2-one

C20H35NO — CID 102487010

IUPAC1,4-dimethyl-6-tridecylpyridin-2-one
SMILESCCCCCCCCCCCCCc1cc(C)cc(=O)n1C
InChIInChI=1S/C20H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18(2)17-20(22)21(19)3/h16-17H,4-15H2,1-3H3
InChIKeyZAPJZSPFBNLBNW-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.55
Rot. Bonds12

About 1,4-dimethyl-6-tridecylpyridin-2-one

1,4-dimethyl-6-tridecylpyridin-2-one (PubChem CID 102487010) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 1,4-dimethyl-6-tridecylpyridin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6-tridecylpyridin-2-one
PubChem CID102487010
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name1,4-dimethyl-6-tridecylpyridin-2-one
SMILESCCCCCCCCCCCCCc1cc(C)cc(=O)n1C
InChIInChI=1S/C20H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18(2)17-20(22)21(19)3/h16-17H,4-15H2,1-3H3
InChIKeyZAPJZSPFBNLBNW-UHFFFAOYSA-N
XLogP5.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 13169243
CID 13169243
CID 5247676
CID 5247676
CID 85801231
CID 85801231
CID 102487011
CID 102487011
CID 102590292
CID 102590292
CID 135058426
CID 135058426
CID 176434166
CID 176434166
CID 176434167
CID 176434167
CID 13590951
CID 13590951
CID 13590953
CID 13590953
CID 13590955
CID 13590955
CID 13590956
CID 13590956

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-tridecylpyridin-2-one?
The IUPAC name of 1,4-dimethyl-6-tridecylpyridin-2-one (CID 102487010) is 1,4-dimethyl-6-tridecylpyridin-2-one.
What is the SMILES notation for 1,4-dimethyl-6-tridecylpyridin-2-one?
The canonical SMILES for 1,4-dimethyl-6-tridecylpyridin-2-one is CCCCCCCCCCCCCc1cc(C)cc(=O)n1C.
What is the InChIKey of 1,4-dimethyl-6-tridecylpyridin-2-one?
The InChIKey is ZAPJZSPFBNLBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18(2)17-20(22)21(19)3/h16-17H,4-15H2,1-3H3.
What are the key properties of 1,4-dimethyl-6-tridecylpyridin-2-one?
1,4-dimethyl-6-tridecylpyridin-2-one has a molecular weight of 305.51 g/mol, XLogP of 5.55, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-tridecylpyridin-2-one is sourced from PubChem (CID 102487010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).