1-(5-propan-2-yl-3-pyridinyl)pentan-1-one

C13H19NO — CID 159567241

IUPAC1-(5-propan-2-yl-3-pyridinyl)pentan-1-one
SMILESCCCCC(=O)c1cncc(C(C)C)c1
InChIInChI=1S/C13H19NO/c1-4-5-6-13(15)12-7-11(10(2)3)8-14-9-12/h7-10H,4-6H2,1-3H3
InChIKeyNDACPSWSFBQGAU-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.58
Rot. Bonds5

About 1-(5-propan-2-yl-3-pyridinyl)pentan-1-one

1-(5-propan-2-yl-3-pyridinyl)pentan-1-one (PubChem CID 159567241) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(5-propan-2-yl-3-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name1-(5-propan-2-yl-3-pyridinyl)pentan-1-one
PubChem CID159567241
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(5-propan-2-yl-3-pyridinyl)pentan-1-one
SMILESCCCCC(=O)c1cncc(C(C)C)c1
InChIInChI=1S/C13H19NO/c1-4-5-6-13(15)12-7-11(10(2)3)8-14-9-12/h7-10H,4-6H2,1-3H3
InChIKeyNDACPSWSFBQGAU-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Metyrapone
CID 4174
3-Acetylpyridine
CID 9589
4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
CID 47289
4-Benzoylpyridine
CID 26731
Phenyl-3-pyridinylmethanone
CID 21540
3-Acetyl-6-methylpyridine
CID 95292
5,8-Isoquinolinedione
CID 5766
5-Methylpyridine-3-carbaldehyde
CID 14141158
Ethanedione, di-3-pyridinyl-
CID 260384
1-(4-Pyridinyl)-1-propanone
CID 74343
gamma-Oxo-3-pyridinebutanal
CID 115084
1-(Pyridin-3-yl)butan-1-one
CID 459502

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-3-pyridinyl)pentan-1-one?
The IUPAC name of 1-(5-propan-2-yl-3-pyridinyl)pentan-1-one (CID 159567241) is 1-(5-propan-2-yl-3-pyridinyl)pentan-1-one.
What is the SMILES notation for 1-(5-propan-2-yl-3-pyridinyl)pentan-1-one?
The canonical SMILES for 1-(5-propan-2-yl-3-pyridinyl)pentan-1-one is CCCCC(=O)c1cncc(C(C)C)c1.
What is the InChIKey of 1-(5-propan-2-yl-3-pyridinyl)pentan-1-one?
The InChIKey is NDACPSWSFBQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-5-6-13(15)12-7-11(10(2)3)8-14-9-12/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-(5-propan-2-yl-3-pyridinyl)pentan-1-one?
1-(5-propan-2-yl-3-pyridinyl)pentan-1-one has a molecular weight of 205.30 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-3-pyridinyl)pentan-1-one is sourced from PubChem (CID 159567241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).