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

C6H11NO2 — CID 55267746

IUPAC1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C6H11NO2/c1-5(8)7-3-2-6(9)4-7/h6,9H,2-4H2,1H3/t6-/m0/s1
InChIKeyODHQVFPGHQBQSY-LURJTMIESA-N
MW129.16 g/mol
LogP-0.40
Rot. Bonds

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

1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 55267746) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID55267746
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](O)C1
InChIInChI=1S/C6H11NO2/c1-5(8)7-3-2-6(9)4-7/h6,9H,2-4H2,1H3/t6-/m0/s1
InChIKeyODHQVFPGHQBQSY-LURJTMIESA-N
XLogP-0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxypiperidin-1-yl)ethanone;methanethiol
CID 143678194
1-(3-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one
CID 91486972
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
S-methyl 3-hydroxypyrrolidine-1-carbothioate
CID 91263437
(1-acetylpyrrolidin-3-yl) 2-methylprop-2-enoate;1-(3-hydroxypyrrolidin-1-yl)ethanone;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 161320401
(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 173100339
1-[(3R)-3-bromopyrrolidin-1-yl]ethanone
CID 66569138
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbut-3-en-1-one
CID 130920541
1-(4-bromo-3-hydroxypiperidin-1-yl)ethanone
CID 117273082
1-(3-bromo-4-methylpiperidin-1-yl)ethanone
CID 102962242

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone (CID 55267746) is 1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is ODHQVFPGHQBQSY-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)7-3-2-6(9)4-7/h6,9H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone?
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 129.16 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 55267746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).