1-pyridin-2-yldecan-2-one

C15H23NO — CID 62622628

IUPAC1-pyridin-2-yldecan-2-one
SMILESCCCCCCCCC(=O)Cc1ccccn1
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-7-11-15(17)13-14-10-8-9-12-16-14/h8-10,12H,2-7,11,13H2,1H3
InChIKeyDVXKQRFHJPBVHE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.94
Rot. Bonds9

About 1-pyridin-2-yldecan-2-one

1-pyridin-2-yldecan-2-one (PubChem CID 62622628) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-pyridin-2-yldecan-2-one.

Molecular Properties

Compound Name1-pyridin-2-yldecan-2-one
PubChem CID62622628
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-pyridin-2-yldecan-2-one
SMILESCCCCCCCCC(=O)Cc1ccccn1
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-7-11-15(17)13-14-10-8-9-12-16-14/h8-10,12H,2-7,11,13H2,1H3
InChIKeyDVXKQRFHJPBVHE-UHFFFAOYSA-N
XLogP3.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.94
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

5-(methylamino)-1-pyridin-2-ylpentan-2-one
CID 116555736
pyridin-2-ylmethyl 5-oxooctadecanoate
CID 91700204
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
1-(5-methyl-2-pyridinyl)nonan-2-one
CID 66447727
1-(5-bromo-2-pyridinyl)decan-2-one
CID 115800946
N'-(2-pyridin-2-ylacetyl)pentanehydrazide
CID 91075847
1-(3-methyl-2-pyridinyl)decan-2-one
CID 66447638
1-phenylheptadecan-2-one
CID 12920609
2,2-dimethyl-1-pyridin-2-yloctan-3-one
CID 143251368
2-undecylpyridine
CID 66882765
4-methylidene-1-pyridin-2-ylhexan-2-one
CID 66045043
2-tetradecylpyridine;hydrochloride
CID 45489746

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yldecan-2-one?
The IUPAC name of 1-pyridin-2-yldecan-2-one (CID 62622628) is 1-pyridin-2-yldecan-2-one.
What is the SMILES notation for 1-pyridin-2-yldecan-2-one?
The canonical SMILES for 1-pyridin-2-yldecan-2-one is CCCCCCCCC(=O)Cc1ccccn1.
What is the InChIKey of 1-pyridin-2-yldecan-2-one?
The InChIKey is DVXKQRFHJPBVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-4-5-6-7-11-15(17)13-14-10-8-9-12-16-14/h8-10,12H,2-7,11,13H2,1H3.
What are the key properties of 1-pyridin-2-yldecan-2-one?
1-pyridin-2-yldecan-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yldecan-2-one is sourced from PubChem (CID 62622628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).