4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one

C16H27NO2 — CID 145200687

IUPAC4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one
SMILESCCCCC(CCCC)c1c(O)c(C)c(C)[nH]c1=O
InChIInChI=1S/C16H27NO2/c1-5-7-9-13(10-8-6-2)14-15(18)11(3)12(4)17-16(14)19/h13H,5-10H2,1-4H3,(H2,17,18,19)
InChIKeyJNBHQQHDMYWJCW-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.16
Rot. Bonds7

About 4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one

4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one (PubChem CID 145200687) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one
PubChem CID145200687
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one
SMILESCCCCC(CCCC)c1c(O)c(C)c(C)[nH]c1=O
InChIInChI=1S/C16H27NO2/c1-5-7-9-13(10-8-6-2)14-15(18)11(3)12(4)17-16(14)19/h13H,5-10H2,1-4H3,(H2,17,18,19)
InChIKeyJNBHQQHDMYWJCW-UHFFFAOYSA-N
XLogP4.16
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate
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methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one (CID 145200687) is 4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one is CCCCC(CCCC)c1c(O)c(C)c(C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one?
The InChIKey is JNBHQQHDMYWJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-7-9-13(10-8-6-2)14-15(18)11(3)12(4)17-16(14)19/h13H,5-10H2,1-4H3,(H2,17,18,19).
What are the key properties of 4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one?
4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one has a molecular weight of 265.40 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,6-dimethyl-3-nonan-5-yl-1H-pyridin-2-one is sourced from PubChem (CID 145200687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).