5-methyl-1-pyridin-2-yloctan-3-one

C14H21NO — CID 105091398

IUPAC5-methyl-1-pyridin-2-yloctan-3-one
SMILESCCCC(C)CC(=O)CCc1ccccn1
InChIInChI=1S/C14H21NO/c1-3-6-12(2)11-14(16)9-8-13-7-4-5-10-15-13/h4-5,7,10,12H,3,6,8-9,11H2,1-2H3
InChIKeyGWIWNIVWODWNNC-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.41
Rot. Bonds7

About 5-methyl-1-pyridin-2-yloctan-3-one

5-methyl-1-pyridin-2-yloctan-3-one (PubChem CID 105091398) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-methyl-1-pyridin-2-yloctan-3-one.

Molecular Properties

Compound Name5-methyl-1-pyridin-2-yloctan-3-one
PubChem CID105091398
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-methyl-1-pyridin-2-yloctan-3-one
SMILESCCCC(C)CC(=O)CCc1ccccn1
InChIInChI=1S/C14H21NO/c1-3-6-12(2)11-14(16)9-8-13-7-4-5-10-15-13/h4-5,7,10,12H,3,6,8-9,11H2,1-2H3
InChIKeyGWIWNIVWODWNNC-UHFFFAOYSA-N
XLogP3.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-pyridin-2-ylheptan-2-one
CID 62620777
5-methyl-1-phenyloctan-3-one
CID 62622474
7-methyl-1-pyridin-2-yloctan-3-one
CID 105125665
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
4-ethyl-1-pyridin-2-ylhexan-3-one
CID 105117455
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
CID 81043461
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
1-[(3S)-1-methylpyrrolidin-3-yl]-4-pyridin-2-ylbutan-2-one
CID 58032898
1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
CID 105089327
(5-methyl-1-pyridin-2-yloctan-3-yl)hydrazine
CID 105298189
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
2-(3-methyloctyl)pyridine;hydrochloride
CID 172780204

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyridin-2-yloctan-3-one?
The IUPAC name of 5-methyl-1-pyridin-2-yloctan-3-one (CID 105091398) is 5-methyl-1-pyridin-2-yloctan-3-one.
What is the SMILES notation for 5-methyl-1-pyridin-2-yloctan-3-one?
The canonical SMILES for 5-methyl-1-pyridin-2-yloctan-3-one is CCCC(C)CC(=O)CCc1ccccn1.
What is the InChIKey of 5-methyl-1-pyridin-2-yloctan-3-one?
The InChIKey is GWIWNIVWODWNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-6-12(2)11-14(16)9-8-13-7-4-5-10-15-13/h4-5,7,10,12H,3,6,8-9,11H2,1-2H3.
What are the key properties of 5-methyl-1-pyridin-2-yloctan-3-one?
5-methyl-1-pyridin-2-yloctan-3-one has a molecular weight of 219.33 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyridin-2-yloctan-3-one is sourced from PubChem (CID 105091398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).