3-decyl-1H-pyridin-2-one

C15H25NO — CID 90885454

IUPAC3-decyl-1H-pyridin-2-one
SMILESCCCCCCCCCCc1ccc[nH]c1=O
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-16-15(14)17/h10,12-13H,2-9,11H2,1H3,(H,16,17)
InChIKeySQMVHXXNPLWABO-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.06
Rot. Bonds9

About 3-decyl-1H-pyridin-2-one

3-decyl-1H-pyridin-2-one (PubChem CID 90885454) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-decyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-decyl-1H-pyridin-2-one
PubChem CID90885454
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-decyl-1H-pyridin-2-one
SMILESCCCCCCCCCCc1ccc[nH]c1=O
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-16-15(14)17/h10,12-13H,2-9,11H2,1H3,(H,16,17)
InChIKeySQMVHXXNPLWABO-UHFFFAOYSA-N
XLogP4.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.06
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 3-decyl-1H-pyridin-2-one?
The IUPAC name of 3-decyl-1H-pyridin-2-one (CID 90885454) is 3-decyl-1H-pyridin-2-one.
What is the SMILES notation for 3-decyl-1H-pyridin-2-one?
The canonical SMILES for 3-decyl-1H-pyridin-2-one is CCCCCCCCCCc1ccc[nH]c1=O.
What is the InChIKey of 3-decyl-1H-pyridin-2-one?
The InChIKey is SQMVHXXNPLWABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-16-15(14)17/h10,12-13H,2-9,11H2,1H3,(H,16,17).
What are the key properties of 3-decyl-1H-pyridin-2-one?
3-decyl-1H-pyridin-2-one has a molecular weight of 235.37 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-1H-pyridin-2-one is sourced from PubChem (CID 90885454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).