2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone

C11H14N2O2 — CID 71649464

IUPAC2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone
SMILESO=C(CN1CC[C@H](O)C1)c1ccccn1
InChIInChI=1S/C11H14N2O2/c14-9-4-6-13(7-9)8-11(15)10-3-1-2-5-12-10/h1-3,5,9,14H,4,6-8H2/t9-/m0/s1
InChIKeyCUXGYSYKOFEOFW-VIFPVBQESA-N
MW206.25 g/mol
LogP0.33
Rot. Bonds3

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone

2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone (PubChem CID 71649464) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone
PubChem CID71649464
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone
SMILESO=C(CN1CC[C@H](O)C1)c1ccccn1
InChIInChI=1S/C11H14N2O2/c14-9-4-6-13(7-9)8-11(15)10-3-1-2-5-12-10/h1-3,5,9,14H,4,6-8H2/t9-/m0/s1
InChIKeyCUXGYSYKOFEOFW-VIFPVBQESA-N
XLogP0.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71643824
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride
CID 71643823
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612
1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62941529
2-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone
CID 71649329
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone
CID 71649466
1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55130596
2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 62941898
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 111123056
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone
CID 72720536
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone
CID 97165412

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone (CID 71649464) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone is O=C(CN1CC[C@H](O)C1)c1ccccn1.
What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone?
The InChIKey is CUXGYSYKOFEOFW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O2/c14-9-4-6-13(7-9)8-11(15)10-3-1-2-5-12-10/h1-3,5,9,14H,4,6-8H2/t9-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone?
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone has a molecular weight of 206.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone is sourced from PubChem (CID 71649464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).