(3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one

C12H16N2O2 — CID 143270082

IUPAC(3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C[C@H](O)c1ccncc1)N1CCCC1
InChIInChI=1S/C12H16N2O2/c15-11(10-3-5-13-6-4-10)9-12(16)14-7-1-2-8-14/h3-6,11,15H,1-2,7-9H2/t11-/m0/s1
InChIKeyYXOIQXVDUOLWDZ-NSHDSACASA-N
MW220.27 g/mol
LogP1.13
Rot. Bonds3

About (3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one

(3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 143270082) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID143270082
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C[C@H](O)c1ccncc1)N1CCCC1
InChIInChI=1S/C12H16N2O2/c15-11(10-3-5-13-6-4-10)9-12(16)14-7-1-2-8-14/h3-6,11,15H,1-2,7-9H2/t11-/m0/s1
InChIKeyYXOIQXVDUOLWDZ-NSHDSACASA-N
XLogP1.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane
CID 158733904
(3S)-1-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124587850
[(2R)-2-amino-3-[(R)-hydroxy(pyridin-4-yl)methyl]thiiran-2-yl]-pyrrolidin-1-ylmethanone
CID 89299886
2-[(3-amino-4-pyridinyl)sulfanyl]-1-(azocan-1-yl)ethanone
CID 43299913
1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one
CID 170562474
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117
2-[(2-hydroxy-2-phenylethyl)amino]-1-piperidin-1-ylethanone
CID 43392858
1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110459300
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide
CID 78775763

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one (CID 143270082) is (3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one is O=C(C[C@H](O)c1ccncc1)N1CCCC1.
What is the InChIKey of (3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YXOIQXVDUOLWDZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11(10-3-5-13-6-4-10)9-12(16)14-7-1-2-8-14/h3-6,11,15H,1-2,7-9H2/t11-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one?
(3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 220.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 143270082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).