1-(2,3-dihydroxypropyl)pyrrolidin-3-one

C7H13NO3 — CID 67368319

IUPAC1-(2,3-dihydroxypropyl)pyrrolidin-3-one
SMILESO=C1CCN(CC(O)CO)C1
InChIInChI=1S/C7H13NO3/c9-5-7(11)4-8-2-1-6(10)3-8/h7,9,11H,1-5H2
InChIKeySNFPWORTHCUOQU-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.39
Rot. Bonds3

About 1-(2,3-dihydroxypropyl)pyrrolidin-3-one

1-(2,3-dihydroxypropyl)pyrrolidin-3-one (PubChem CID 67368319) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)pyrrolidin-3-one
PubChem CID67368319
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name1-(2,3-dihydroxypropyl)pyrrolidin-3-one
SMILESO=C1CCN(CC(O)CO)C1
InChIInChI=1S/C7H13NO3/c9-5-7(11)4-8-2-1-6(10)3-8/h7,9,11H,1-5H2
InChIKeySNFPWORTHCUOQU-UHFFFAOYSA-N
XLogP-1.39
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 82582338
1-(3-chloro-2-hydroxypropyl)piperidin-4-one
CID 130130972
1-(2,3-dihydroxypropyl)-3-methylpiperidin-4-one
CID 114500290
1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione
CID 139972938
5-(2,3-dihydroxypropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369235
1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
CID 131941282
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
1-(2-hydroxyethyl)piperidin-4-one
CID 15006446
1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one
CID 58615163
3-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)propane-1,2-diol
CID 110457226
1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 63931756
3-[7-(dimethylamino)-3,4-dihydro-1H-isoquinolin-2-yl]propane-1,2-diol
CID 110456958

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)pyrrolidin-3-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)pyrrolidin-3-one (CID 67368319) is 1-(2,3-dihydroxypropyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)pyrrolidin-3-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)pyrrolidin-3-one is O=C1CCN(CC(O)CO)C1.
What is the InChIKey of 1-(2,3-dihydroxypropyl)pyrrolidin-3-one?
The InChIKey is SNFPWORTHCUOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-5-7(11)4-8-2-1-6(10)3-8/h7,9,11H,1-5H2.
What are the key properties of 1-(2,3-dihydroxypropyl)pyrrolidin-3-one?
1-(2,3-dihydroxypropyl)pyrrolidin-3-one has a molecular weight of 159.19 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)pyrrolidin-3-one is sourced from PubChem (CID 67368319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).