(5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C12H20N2O3 — CID 114039546

IUPAC(5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCCC2CCCO)N1
InChIInChI=1S/C12H20N2O3/c15-8-2-4-9-3-1-7-14(9)12(17)10-5-6-11(16)13-10/h9-10,15H,1-8H2,(H,13,16)/t9?,10-/m0/s1
InChIKeySGKKMNUAZDXVHG-AXDSSHIGSA-N
MW240.30 g/mol
LogP0.03
Rot. Bonds4

About (5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 114039546) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID114039546
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCCC2CCCO)N1
InChIInChI=1S/C12H20N2O3/c15-8-2-4-9-3-1-7-14(9)12(17)10-5-6-11(16)13-10/h9-10,15H,1-8H2,(H,13,16)/t9?,10-/m0/s1
InChIKeySGKKMNUAZDXVHG-AXDSSHIGSA-N
XLogP0.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 43572839
4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 62468059
(5S)-5-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94885599
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 62479213
(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 13306589
(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95351095
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429
cyclopropyl-[2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 62468618
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 55075936
(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 66264258
4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 82705880
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 62480452

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 114039546) is (5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCCC2CCCO)N1.
What is the InChIKey of (5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is SGKKMNUAZDXVHG-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-8-2-4-9-3-1-7-14(9)12(17)10-5-6-11(16)13-10/h9-10,15H,1-8H2,(H,13,16)/t9?,10-/m0/s1.
What are the key properties of (5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 240.30 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 114039546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).