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

C7H13NO2 — CID 91245652

IUPAC2-hydroxy-1-pyrrolidin-3-ylpropan-1-one
SMILESCC(O)C(=O)C1CCNC1
InChIInChI=1S/C7H13NO2/c1-5(9)7(10)6-2-3-8-4-6/h5-6,8-9H,2-4H2,1H3
InChIKeyMHFWEDMPKLTMGT-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.45
Rot. Bonds2

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

2-hydroxy-1-pyrrolidin-3-ylpropan-1-one (PubChem CID 91245652) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-hydroxy-1-pyrrolidin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-pyrrolidin-3-ylpropan-1-one
PubChem CID91245652
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-hydroxy-1-pyrrolidin-3-ylpropan-1-one
SMILESCC(O)C(=O)C1CCNC1
InChIInChI=1S/C7H13NO2/c1-5(9)7(10)6-2-3-8-4-6/h5-6,8-9H,2-4H2,1H3
InChIKeyMHFWEDMPKLTMGT-UHFFFAOYSA-N
XLogP-0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(3S)-pyrrolidin-3-yl]butan-1-one
CID 126693531
(2S)-1-cyclopropyl-2-hydroxypropan-1-one
CID 124679592
(2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 63006443
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
methyl pyrrolidine-3-carboxylate
CID 4114360
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
(2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid
CID 164886400
2-methyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-one
CID 165464726
N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119748205
N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
CID 64603419

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-pyrrolidin-3-ylpropan-1-one?
The IUPAC name of 2-hydroxy-1-pyrrolidin-3-ylpropan-1-one (CID 91245652) is 2-hydroxy-1-pyrrolidin-3-ylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-pyrrolidin-3-ylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-pyrrolidin-3-ylpropan-1-one is CC(O)C(=O)C1CCNC1.
What is the InChIKey of 2-hydroxy-1-pyrrolidin-3-ylpropan-1-one?
The InChIKey is MHFWEDMPKLTMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(9)7(10)6-2-3-8-4-6/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 2-hydroxy-1-pyrrolidin-3-ylpropan-1-one?
2-hydroxy-1-pyrrolidin-3-ylpropan-1-one has a molecular weight of 143.19 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-pyrrolidin-3-ylpropan-1-one is sourced from PubChem (CID 91245652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).