7-methyl-1-pyridin-3-yloctan-4-one

C14H21NO — CID 70095682

IUPAC7-methyl-1-pyridin-3-yloctan-4-one
SMILESCC(C)CCC(=O)CCCc1cccnc1
InChIInChI=1S/C14H21NO/c1-12(2)8-9-14(16)7-3-5-13-6-4-10-15-11-13/h4,6,10-12H,3,5,7-9H2,1-2H3
InChIKeyKFMQYXBUDHRGGN-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.41
Rot. Bonds7

About 7-methyl-1-pyridin-3-yloctan-4-one

7-methyl-1-pyridin-3-yloctan-4-one (PubChem CID 70095682) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 7-methyl-1-pyridin-3-yloctan-4-one.

Molecular Properties

Compound Name7-methyl-1-pyridin-3-yloctan-4-one
PubChem CID70095682
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name7-methyl-1-pyridin-3-yloctan-4-one
SMILESCC(C)CCC(=O)CCCc1cccnc1
InChIInChI=1S/C14H21NO/c1-12(2)8-9-14(16)7-3-5-13-6-4-10-15-11-13/h4,6,10-12H,3,5,7-9H2,1-2H3
InChIKeyKFMQYXBUDHRGGN-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

1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
3-(5-methylhexyl)pyridine
CID 54316004
3-(14-methylpentadecyl)pyridine
CID 19697272
5-methyl-1-pyridin-3-ylheptan-3-one
CID 105091617
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
pyridin-3-ylmethyl 4-methylpentanoate
CID 14009314
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
6-methyl-1-pyridin-3-ylheptane-3,5-dione
CID 159181392
4-methyl-1-pyridin-3-ylheptan-3-one
CID 107891307
1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
CID 57095920
4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid
CID 79425331
3-pyridin-3-ylpropyl 2-sulfanylbutanoate
CID 88778268

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-pyridin-3-yloctan-4-one?
The IUPAC name of 7-methyl-1-pyridin-3-yloctan-4-one (CID 70095682) is 7-methyl-1-pyridin-3-yloctan-4-one.
What is the SMILES notation for 7-methyl-1-pyridin-3-yloctan-4-one?
The canonical SMILES for 7-methyl-1-pyridin-3-yloctan-4-one is CC(C)CCC(=O)CCCc1cccnc1.
What is the InChIKey of 7-methyl-1-pyridin-3-yloctan-4-one?
The InChIKey is KFMQYXBUDHRGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(2)8-9-14(16)7-3-5-13-6-4-10-15-11-13/h4,6,10-12H,3,5,7-9H2,1-2H3.
What are the key properties of 7-methyl-1-pyridin-3-yloctan-4-one?
7-methyl-1-pyridin-3-yloctan-4-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 7-methyl-1-pyridin-3-yloctan-4-one is sourced from PubChem (CID 70095682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).