1-pyridin-3-ylpentan-1-one

C10H13NO — CID 12648543

IUPAC1-pyridin-3-ylpentan-1-one
SMILESCCCCC(=O)c1cccnc1
InChIInChI=1S/C10H13NO/c1-2-3-6-10(12)9-5-4-7-11-8-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeyXMPPMKWFQBHNIJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.45
Rot. Bonds4

About 1-pyridin-3-ylpentan-1-one

1-pyridin-3-ylpentan-1-one (PubChem CID 12648543) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-pyridin-3-ylpentan-1-one.

Molecular Properties

Compound Name1-pyridin-3-ylpentan-1-one
PubChem CID12648543
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-pyridin-3-ylpentan-1-one
SMILESCCCCC(=O)c1cccnc1
InChIInChI=1S/C10H13NO/c1-2-3-6-10(12)9-5-4-7-11-8-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeyXMPPMKWFQBHNIJ-UHFFFAOYSA-N
XLogP2.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-3-ylundecan-1-one
CID 19756112
5-ethoxy-1-pyridin-3-ylpentan-1-one
CID 121009142
7,7-dimethyl-1-pyridin-3-yloctane-1,6-dione
CID 157216244
(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one
CID 45272531
3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
CID 82185385
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
7,7-diamino-1-pyridin-3-ylheptan-1-one
CID 142992432
4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one
CID 134334847
ethane;1-phenylpentan-1-one
CID 143728184
1-pyridin-3-ylpentan-1-imine
CID 19790330
dodecanoyl pyridine-3-carboxylate
CID 23450156
2-pyridin-3-ylpent-1-en-3-one
CID 155931297

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylpentan-1-one?
The IUPAC name of 1-pyridin-3-ylpentan-1-one (CID 12648543) is 1-pyridin-3-ylpentan-1-one.
What is the SMILES notation for 1-pyridin-3-ylpentan-1-one?
The canonical SMILES for 1-pyridin-3-ylpentan-1-one is CCCCC(=O)c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylpentan-1-one?
The InChIKey is XMPPMKWFQBHNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-3-6-10(12)9-5-4-7-11-8-9/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 1-pyridin-3-ylpentan-1-one?
1-pyridin-3-ylpentan-1-one has a molecular weight of 163.22 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpentan-1-one is sourced from PubChem (CID 12648543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).