1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one

C12H22N2O3 — CID 111116570

IUPAC1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCCC1CO
InChIInChI=1S/C12H22N2O3/c15-9-10-3-1-5-13(10)7-11(16)8-14-6-2-4-12(14)17/h10-11,15-16H,1-9H2
InChIKeyRDDOHGRVFNNUDU-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.57
Rot. Bonds5

About 1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one

1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 111116570) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
PubChem CID111116570
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCCC1CO
InChIInChI=1S/C12H22N2O3/c15-9-10-3-1-5-13(10)7-11(16)8-14-6-2-4-12(14)17/h10-11,15-16H,1-9H2
InChIKeyRDDOHGRVFNNUDU-UHFFFAOYSA-N
XLogP-0.57
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116454
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846838
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1R)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846837
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 62013967
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 66260458
1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 102554559
1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 102287325
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111442533
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
CID 104753129

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one (CID 111116570) is 1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CN1CCCC1CO.
What is the InChIKey of 1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is RDDOHGRVFNNUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-9-10-3-1-5-13(10)7-11(16)8-14-6-2-4-12(14)17/h10-11,15-16H,1-9H2.
What are the key properties of 1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 242.32 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 111116570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).