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

C14H21NO — CID 105125665

IUPAC7-methyl-1-pyridin-2-yloctan-3-one
SMILESCC(C)CCCC(=O)CCc1ccccn1
InChIInChI=1S/C14H21NO/c1-12(2)6-5-8-14(16)10-9-13-7-3-4-11-15-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyIXVLCUCXRWHOEA-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.41
Rot. Bonds7

About 7-methyl-1-pyridin-2-yloctan-3-one

7-methyl-1-pyridin-2-yloctan-3-one (PubChem CID 105125665) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 7-methyl-1-pyridin-2-yloctan-3-one.

Molecular Properties

Compound Name7-methyl-1-pyridin-2-yloctan-3-one
PubChem CID105125665
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name7-methyl-1-pyridin-2-yloctan-3-one
SMILESCC(C)CCCC(=O)CCc1ccccn1
InChIInChI=1S/C14H21NO/c1-12(2)6-5-8-14(16)10-9-13-7-3-4-11-15-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyIXVLCUCXRWHOEA-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

5-methyl-1-pyridin-2-yloctan-3-one
CID 105091398
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
CID 81043461
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
4-ethyl-1-pyridin-2-ylhexan-3-one
CID 105117455
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-pyridin-2-ylbutan-2-one
CID 105110656
5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
CID 82854201
5-methyl-6-pyridin-2-ylhexanoic acid
CID 58070898
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-pyridin-2-yloctan-3-one?
The IUPAC name of 7-methyl-1-pyridin-2-yloctan-3-one (CID 105125665) is 7-methyl-1-pyridin-2-yloctan-3-one.
What is the SMILES notation for 7-methyl-1-pyridin-2-yloctan-3-one?
The canonical SMILES for 7-methyl-1-pyridin-2-yloctan-3-one is CC(C)CCCC(=O)CCc1ccccn1.
What is the InChIKey of 7-methyl-1-pyridin-2-yloctan-3-one?
The InChIKey is IXVLCUCXRWHOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(2)6-5-8-14(16)10-9-13-7-3-4-11-15-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3.
What are the key properties of 7-methyl-1-pyridin-2-yloctan-3-one?
7-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 7-methyl-1-pyridin-2-yloctan-3-one is sourced from PubChem (CID 105125665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).