5-dodecan-5-yl-1H-pyridin-2-one

C17H29NO — CID 155069588

IUPAC5-dodecan-5-yl-1H-pyridin-2-one
SMILESCCCCCCCC(CCCC)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H29NO/c1-3-5-7-8-9-11-15(10-6-4-2)16-12-13-17(19)18-14-16/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyFFVQMYGHVRSAKD-UHFFFAOYSA-N
MW263.42 g/mol
LogP5.01
Rot. Bonds10

About 5-dodecan-5-yl-1H-pyridin-2-one

5-dodecan-5-yl-1H-pyridin-2-one (PubChem CID 155069588) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 5-dodecan-5-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-dodecan-5-yl-1H-pyridin-2-one
PubChem CID155069588
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name5-dodecan-5-yl-1H-pyridin-2-one
SMILESCCCCCCCC(CCCC)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H29NO/c1-3-5-7-8-9-11-15(10-6-4-2)16-12-13-17(19)18-14-16/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyFFVQMYGHVRSAKD-UHFFFAOYSA-N
XLogP5.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.42
LogP ≤ 55.01
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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Related Compounds

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4-decan-5-ylbenzenesulfonate
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5-undecan-5-yl-1H-pyrimidine-2,4-dione
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4-undecan-6-ylphenol
CID 66867197
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3-tetracosan-12-ylthiophene
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CID 101426973

Frequently Asked Questions

What is the IUPAC name of 5-dodecan-5-yl-1H-pyridin-2-one?
The IUPAC name of 5-dodecan-5-yl-1H-pyridin-2-one (CID 155069588) is 5-dodecan-5-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-dodecan-5-yl-1H-pyridin-2-one?
The canonical SMILES for 5-dodecan-5-yl-1H-pyridin-2-one is CCCCCCCC(CCCC)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-dodecan-5-yl-1H-pyridin-2-one?
The InChIKey is FFVQMYGHVRSAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-5-7-8-9-11-15(10-6-4-2)16-12-13-17(19)18-14-16/h12-15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 5-dodecan-5-yl-1H-pyridin-2-one?
5-dodecan-5-yl-1H-pyridin-2-one has a molecular weight of 263.42 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecan-5-yl-1H-pyridin-2-one is sourced from PubChem (CID 155069588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).