4-heptan-4-yl-1H-pyridin-2-one

C12H19NO — CID 70231856

IUPAC4-heptan-4-yl-1H-pyridin-2-one
SMILESCCCC(CCC)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H19NO/c1-3-5-10(6-4-2)11-7-8-13-12(14)9-11/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyAKVHTVFJPCMWKA-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.06
Rot. Bonds5

About 4-heptan-4-yl-1H-pyridin-2-one

4-heptan-4-yl-1H-pyridin-2-one (PubChem CID 70231856) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-heptan-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-heptan-4-yl-1H-pyridin-2-one
PubChem CID70231856
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-heptan-4-yl-1H-pyridin-2-one
SMILESCCCC(CCC)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H19NO/c1-3-5-10(6-4-2)11-7-8-13-12(14)9-11/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyAKVHTVFJPCMWKA-UHFFFAOYSA-N
XLogP3.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,4-Dodecadienamide, N-ethyl-3,7,11-trimethyl-, (E,E)-
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4-Ethylpyridin-2(1H)-one
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4-Propylpyridone
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4-(2-fluoropropan-2-yl)-1H-pyridin-2-one
CID 84763582
4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one
CID 157164886
azanium;2,4-dimethylhex-3-ene;3,5-dimethylhex-2-ene;4-(trifluoromethyl)-1H-pyridin-2-one
CID 162015236
5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
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5-butan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
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(E)-3-cyclohexyl-N-methylbut-2-enamide
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Frequently Asked Questions

What is the IUPAC name of 4-heptan-4-yl-1H-pyridin-2-one?
The IUPAC name of 4-heptan-4-yl-1H-pyridin-2-one (CID 70231856) is 4-heptan-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-heptan-4-yl-1H-pyridin-2-one?
The canonical SMILES for 4-heptan-4-yl-1H-pyridin-2-one is CCCC(CCC)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-heptan-4-yl-1H-pyridin-2-one?
The InChIKey is AKVHTVFJPCMWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-10(6-4-2)11-7-8-13-12(14)9-11/h7-10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-heptan-4-yl-1H-pyridin-2-one?
4-heptan-4-yl-1H-pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 70231856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).