4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one

C14H20N2O2 — CID 14233094

IUPAC4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
SMILESCC(O)CCC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-11(17)6-7-14(18)16-9-3-5-13(16)12-4-2-8-15-10-12/h2,4,8,10-11,13,17H,3,5-7,9H2,1H3
InChIKeyWRLVEFOWMAEWFA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds4

About 4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one

4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one (PubChem CID 14233094) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
PubChem CID14233094
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
SMILESCC(O)CCC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-11(17)6-7-14(18)16-9-3-5-13(16)12-4-2-8-15-10-12/h2,4,8,10-11,13,17H,3,5-7,9H2,1H3
InChIKeyWRLVEFOWMAEWFA-UHFFFAOYSA-N
XLogP1.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one
CID 154735172
4-(propan-2-ylamino)-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 60850960
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 65290350
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678
2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
CID 65302628
2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
CID 110871568
2-[3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 42921889

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one (CID 14233094) is 4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one is CC(O)CCC(=O)N1CCCC1c1cccnc1.
What is the InChIKey of 4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is WRLVEFOWMAEWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(17)6-7-14(18)16-9-3-5-13(16)12-4-2-8-15-10-12/h2,4,8,10-11,13,17H,3,5-7,9H2,1H3.
What are the key properties of 4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one?
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 14233094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).