1-hydroxy-3-pyrrolidin-2-ylpropan-2-one

C7H13NO2 — CID 123192463

IUPAC1-hydroxy-3-pyrrolidin-2-ylpropan-2-one
SMILESO=C(CO)CC1CCCN1
InChIInChI=1S/C7H13NO2/c9-5-7(10)4-6-2-1-3-8-6/h6,8-9H,1-5H2
InChIKeyFSRPXXSAWFJXHN-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.31
Rot. Bonds3

About 1-hydroxy-3-pyrrolidin-2-ylpropan-2-one

1-hydroxy-3-pyrrolidin-2-ylpropan-2-one (PubChem CID 123192463) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-hydroxy-3-pyrrolidin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-pyrrolidin-2-ylpropan-2-one
PubChem CID123192463
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-hydroxy-3-pyrrolidin-2-ylpropan-2-one
SMILESO=C(CO)CC1CCCN1
InChIInChI=1S/C7H13NO2/c9-5-7(10)4-6-2-1-3-8-6/h6,8-9H,1-5H2
InChIKeyFSRPXXSAWFJXHN-UHFFFAOYSA-N
XLogP-0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one
CID 54308072
4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one
CID 116560952
6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one
CID 116560929
1-pyrrolidin-2-ylpropan-2-one
CID 45085262
1-cyclopentyl-2-pyrrolidin-2-ylethanone
CID 79538692
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560826
1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560927
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-pyrrolidin-2-ylpropan-2-one?
The IUPAC name of 1-hydroxy-3-pyrrolidin-2-ylpropan-2-one (CID 123192463) is 1-hydroxy-3-pyrrolidin-2-ylpropan-2-one.
What is the SMILES notation for 1-hydroxy-3-pyrrolidin-2-ylpropan-2-one?
The canonical SMILES for 1-hydroxy-3-pyrrolidin-2-ylpropan-2-one is O=C(CO)CC1CCCN1.
What is the InChIKey of 1-hydroxy-3-pyrrolidin-2-ylpropan-2-one?
The InChIKey is FSRPXXSAWFJXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-5-7(10)4-6-2-1-3-8-6/h6,8-9H,1-5H2.
What are the key properties of 1-hydroxy-3-pyrrolidin-2-ylpropan-2-one?
1-hydroxy-3-pyrrolidin-2-ylpropan-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-pyrrolidin-2-ylpropan-2-one is sourced from PubChem (CID 123192463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).