3-(2-methylhexan-2-yl)-1H-pyridin-2-one

C12H19NO — CID 155105380

IUPAC3-(2-methylhexan-2-yl)-1H-pyridin-2-one
SMILESCCCCC(C)(C)c1ccc[nH]c1=O
InChIInChI=1S/C12H19NO/c1-4-5-8-12(2,3)10-7-6-9-13-11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyAKNPDOVIDVEXTJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.84
Rot. Bonds4

About 3-(2-methylhexan-2-yl)-1H-pyridin-2-one

3-(2-methylhexan-2-yl)-1H-pyridin-2-one (PubChem CID 155105380) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(2-methylhexan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-methylhexan-2-yl)-1H-pyridin-2-one
PubChem CID155105380
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(2-methylhexan-2-yl)-1H-pyridin-2-one
SMILESCCCCC(C)(C)c1ccc[nH]c1=O
InChIInChI=1S/C12H19NO/c1-4-5-8-12(2,3)10-7-6-9-13-11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyAKNPDOVIDVEXTJ-UHFFFAOYSA-N
XLogP2.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylhexan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-methylhexan-2-yl)-1H-pyridin-2-one (CID 155105380) is 3-(2-methylhexan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-methylhexan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-methylhexan-2-yl)-1H-pyridin-2-one is CCCCC(C)(C)c1ccc[nH]c1=O.
What is the InChIKey of 3-(2-methylhexan-2-yl)-1H-pyridin-2-one?
The InChIKey is AKNPDOVIDVEXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-8-12(2,3)10-7-6-9-13-11(10)14/h6-7,9H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of 3-(2-methylhexan-2-yl)-1H-pyridin-2-one?
3-(2-methylhexan-2-yl)-1H-pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylhexan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 155105380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).