7-methyl-1-pyridin-4-yloctan-2-one

C14H21NO — CID 160568287

IUPAC7-methyl-1-pyridin-4-yloctan-2-one
SMILESCC(C)CCCCC(=O)Cc1ccncc1
InChIInChI=1S/C14H21NO/c1-12(2)5-3-4-6-14(16)11-13-7-9-15-10-8-13/h7-10,12H,3-6,11H2,1-2H3
InChIKeySROUSCCIUDAXKX-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.41
Rot. Bonds7

About 7-methyl-1-pyridin-4-yloctan-2-one

7-methyl-1-pyridin-4-yloctan-2-one (PubChem CID 160568287) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 7-methyl-1-pyridin-4-yloctan-2-one.

Molecular Properties

Compound Name7-methyl-1-pyridin-4-yloctan-2-one
PubChem CID160568287
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name7-methyl-1-pyridin-4-yloctan-2-one
SMILESCC(C)CCCCC(=O)Cc1ccncc1
InChIInChI=1S/C14H21NO/c1-12(2)5-3-4-6-14(16)11-13-7-9-15-10-8-13/h7-10,12H,3-6,11H2,1-2H3
InChIKeySROUSCCIUDAXKX-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

Computed Properties (RDKit)

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

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Related Compounds

3-Acetylpyridine
CID 9589
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307
4-Benzoylpyridine
CID 26731
4-Acetylpyridine
CID 14282
17-(3-Pyridinyl)androsta-4,16-dien-3-one
CID 196941
Phenyl-3-pyridinylmethanone
CID 21540
3-Isobutyl pyridine
CID 61715
2-Benzoylpyridine
CID 7038
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
3-Acetyl-6-methylpyridine
CID 95292
3-Hexylpyridine
CID 22766

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-pyridin-4-yloctan-2-one?
The IUPAC name of 7-methyl-1-pyridin-4-yloctan-2-one (CID 160568287) is 7-methyl-1-pyridin-4-yloctan-2-one.
What is the SMILES notation for 7-methyl-1-pyridin-4-yloctan-2-one?
The canonical SMILES for 7-methyl-1-pyridin-4-yloctan-2-one is CC(C)CCCCC(=O)Cc1ccncc1.
What is the InChIKey of 7-methyl-1-pyridin-4-yloctan-2-one?
The InChIKey is SROUSCCIUDAXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(2)5-3-4-6-14(16)11-13-7-9-15-10-8-13/h7-10,12H,3-6,11H2,1-2H3.
What are the key properties of 7-methyl-1-pyridin-4-yloctan-2-one?
7-methyl-1-pyridin-4-yloctan-2-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-4-yloctan-2-one is sourced from PubChem (CID 160568287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).