1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone

C6H11NO2 — CID 167202953

IUPAC1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@@]1(O)CCNC1
InChIInChI=1S/C6H11NO2/c1-5(8)6(9)2-3-7-4-6/h7,9H,2-4H2,1H3/t6-/m1/s1
InChIKeyAJEQZDVQJLKVPZ-ZCFIWIBFSA-N
MW129.16 g/mol
LogP-0.70
Rot. Bonds1

About 1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone

1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone (PubChem CID 167202953) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone
PubChem CID167202953
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@@]1(O)CCNC1
InChIInChI=1S/C6H11NO2/c1-5(8)6(9)2-3-7-4-6/h7,9H,2-4H2,1H3/t6-/m1/s1
InChIKeyAJEQZDVQJLKVPZ-ZCFIWIBFSA-N
XLogP-0.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone (CID 167202953) is 1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone is CC(=O)[C@@]1(O)CCNC1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone?
The InChIKey is AJEQZDVQJLKVPZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)6(9)2-3-7-4-6/h7,9H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone?
1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone has a molecular weight of 129.16 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone is sourced from PubChem (CID 167202953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).