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

C16H29N3O2 — CID 111442533

IUPAC1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCC(CN2CCCC2)C1
InChIInChI=1S/C16H29N3O2/c20-15(13-19-8-3-4-16(19)21)12-18-9-5-14(11-18)10-17-6-1-2-7-17/h14-15,20H,1-13H2
InChIKeyIDUNYLWSDACENY-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.39
Rot. Bonds6

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

1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 111442533) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
PubChem CID111442533
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCC(CN2CCCC2)C1
InChIInChI=1S/C16H29N3O2/c20-15(13-19-8-3-4-16(19)21)12-18-9-5-14(11-18)10-17-6-1-2-7-17/h14-15,20H,1-13H2
InChIKeyIDUNYLWSDACENY-UHFFFAOYSA-N
XLogP0.39
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-ethylsulfanylazepan-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111117968
1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 111116460
tert-butyl N-[1-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]piperidin-3-yl]carbamate
CID 122155596
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1R)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846837
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846838
1-(4-nitropyrazol-1-yl)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111488205
1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
CID 139437746
1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 96513859
1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111116570
1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 102554559
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-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one (CID 111442533) is 1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CN1CCC(CN2CCCC2)C1.
What is the InChIKey of 1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is IDUNYLWSDACENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-15(13-19-8-3-4-16(19)21)12-18-9-5-14(11-18)10-17-6-1-2-7-17/h14-15,20H,1-13H2.
What are the key properties of 1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 295.43 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 111442533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).