3-hydroxy-1-pyrrolidin-1-ylpropan-1-one

C7H13NO2 — CID 19039589

IUPAC3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCO)N1CCCC1
InChIInChI=1S/C7H13NO2/c9-6-3-7(10)8-4-1-2-5-8/h9H,1-6H2
InChIKeyBCCDLNMYKPJPMP-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.01
Rot. Bonds2

About 3-hydroxy-1-pyrrolidin-1-ylpropan-1-one

3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 19039589) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID19039589
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCO)N1CCCC1
InChIInChI=1S/C7H13NO2/c9-6-3-7(10)8-4-1-2-5-8/h9H,1-6H2
InChIKeyBCCDLNMYKPJPMP-UHFFFAOYSA-N
XLogP-0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (CID 19039589) is 3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is O=C(CCO)N1CCCC1.
What is the InChIKey of 3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BCCDLNMYKPJPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-6-3-7(10)8-4-1-2-5-8/h9H,1-6H2.
What are the key properties of 3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
3-hydroxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 143.19 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 19039589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).