5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one

C9H16N2O2 — CID 103668847

IUPAC5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CN2CC[C@@H](O)C2)N1
InChIInChI=1S/C9H16N2O2/c12-8-3-4-11(6-8)5-7-1-2-9(13)10-7/h7-8,12H,1-6H2,(H,10,13)/t7?,8-/m1/s1
InChIKeyZPGRSXOKNZFPRT-BRFYHDHCSA-N
MW184.24 g/mol
LogP-0.67
Rot. Bonds2

About 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one

5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 103668847) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one
PubChem CID103668847
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CN2CC[C@@H](O)C2)N1
InChIInChI=1S/C9H16N2O2/c12-8-3-4-11(6-8)5-7-1-2-9(13)10-7/h7-8,12H,1-6H2,(H,10,13)/t7?,8-/m1/s1
InChIKeyZPGRSXOKNZFPRT-BRFYHDHCSA-N
XLogP-0.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 67158038
5-[(4-amino-3-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 107530604
2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107530362
1-[(5-oxopyrrolidin-2-yl)methyl]piperidine-4-carbaldehyde
CID 107530842
(5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one
CID 67157930
(5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one
CID 67157650
(5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one
CID 67157820
5-[[4-(4-sulfanylphenyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 171622133
1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one
CID 130517287
1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone
CID 70162239
1-(cyclopentylmethyl)pyrrolidin-3-ol
CID 62916815
(3R)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol
CID 86323280

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one (CID 103668847) is 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one is O=C1CCC(CN2CC[C@@H](O)C2)N1.
What is the InChIKey of 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is ZPGRSXOKNZFPRT-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-8-3-4-11(6-8)5-7-1-2-9(13)10-7/h7-8,12H,1-6H2,(H,10,13)/t7?,8-/m1/s1.
What are the key properties of 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one?
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 103668847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).