2,2-dimethyl-1-pyridin-2-yloctan-3-one

C15H23NO — CID 143251368

IUPAC2,2-dimethyl-1-pyridin-2-yloctan-3-one
SMILESCCCCCC(=O)C(C)(C)Cc1ccccn1
InChIInChI=1S/C15H23NO/c1-4-5-6-10-14(17)15(2,3)12-13-9-7-8-11-16-13/h7-9,11H,4-6,10,12H2,1-3H3
InChIKeyFBOCIMPAKSCNKR-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.80
Rot. Bonds7

About 2,2-dimethyl-1-pyridin-2-yloctan-3-one

2,2-dimethyl-1-pyridin-2-yloctan-3-one (PubChem CID 143251368) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyridin-2-yloctan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-1-pyridin-2-yloctan-3-one
PubChem CID143251368
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,2-dimethyl-1-pyridin-2-yloctan-3-one
SMILESCCCCCC(=O)C(C)(C)Cc1ccccn1
InChIInChI=1S/C15H23NO/c1-4-5-6-10-14(17)15(2,3)12-13-9-7-8-11-16-13/h7-9,11H,4-6,10,12H2,1-3H3
InChIKeyFBOCIMPAKSCNKR-UHFFFAOYSA-N
XLogP3.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-2-yldecan-2-one
CID 62622628
2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid
CID 79426104
N'-(2-pyridin-2-ylacetyl)pentanehydrazide
CID 91075847
1-pyridin-2-ylhexan-1-one
CID 556347
2,2-bis(pyridin-2-ylmethyl)pentanoic acid
CID 67287771
pyridin-2-ylmethyl 5-oxooctadecanoate
CID 91700204
2-undecylpyridine
CID 66882765
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
2-(decanoylamino)-2-methyl-N-(2-pyridin-2-ylethyl)butanediamide
CID 170222080
1-(ethylamino)-2-methyl-3-pyridin-2-ylpropan-2-ol
CID 66039373

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyridin-2-yloctan-3-one?
The IUPAC name of 2,2-dimethyl-1-pyridin-2-yloctan-3-one (CID 143251368) is 2,2-dimethyl-1-pyridin-2-yloctan-3-one.
What is the SMILES notation for 2,2-dimethyl-1-pyridin-2-yloctan-3-one?
The canonical SMILES for 2,2-dimethyl-1-pyridin-2-yloctan-3-one is CCCCCC(=O)C(C)(C)Cc1ccccn1.
What is the InChIKey of 2,2-dimethyl-1-pyridin-2-yloctan-3-one?
The InChIKey is FBOCIMPAKSCNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-6-10-14(17)15(2,3)12-13-9-7-8-11-16-13/h7-9,11H,4-6,10,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-pyridin-2-yloctan-3-one?
2,2-dimethyl-1-pyridin-2-yloctan-3-one has a molecular weight of 233.35 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyridin-2-yloctan-3-one is sourced from PubChem (CID 143251368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).