1-(3-hydroxypyrrolidin-1-yl)propan-2-one

C7H13NO2 — CID 23388482

IUPAC1-(3-hydroxypyrrolidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(O)C1
InChIInChI=1S/C7H13NO2/c1-6(9)4-8-3-2-7(10)5-8/h7,10H,2-5H2,1H3
InChIKeyDWAOLGKDKAPBCO-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.36
Rot. Bonds2

About 1-(3-hydroxypyrrolidin-1-yl)propan-2-one

1-(3-hydroxypyrrolidin-1-yl)propan-2-one (PubChem CID 23388482) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)propan-2-one
PubChem CID23388482
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(O)C1
InChIInChI=1S/C7H13NO2/c1-6(9)4-8-3-2-7(10)5-8/h7,10H,2-5H2,1H3
InChIKeyDWAOLGKDKAPBCO-UHFFFAOYSA-N
XLogP-0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
CID 121200178
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916112
N-[1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 58937983
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962419
1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704
N-[(2R)-butan-2-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 129368574
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)propan-2-one?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)propan-2-one (CID 23388482) is 1-(3-hydroxypyrrolidin-1-yl)propan-2-one.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)propan-2-one?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)propan-2-one is CC(=O)CN1CCC(O)C1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)propan-2-one?
The InChIKey is DWAOLGKDKAPBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(9)4-8-3-2-7(10)5-8/h7,10H,2-5H2,1H3.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)propan-2-one?
1-(3-hydroxypyrrolidin-1-yl)propan-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)propan-2-one is sourced from PubChem (CID 23388482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).