2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol

C9H18N2O2 — CID 54174381

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol
SMILESOCC1CCCN1C1NCCC1O
InChIInChI=1S/C9H18N2O2/c12-6-7-2-1-5-11(7)9-8(13)3-4-10-9/h7-10,12-13H,1-6H2
InChIKeyUUAREHHUKAYXRV-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.88
Rot. Bonds2

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol

2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol (PubChem CID 54174381) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol
PubChem CID54174381
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol
SMILESOCC1CCCN1C1NCCC1O
InChIInChI=1S/C9H18N2O2/c12-6-7-2-1-5-11(7)9-8(13)3-4-10-9/h7-10,12-13H,1-6H2
InChIKeyUUAREHHUKAYXRV-UHFFFAOYSA-N
XLogP-0.88
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
[1-(azepan-4-yl)pyrrolidin-2-yl]methanol
CID 84668410
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]azepan-2-one
CID 66261873
[(3R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methanol
CID 169000645
(3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol
CID 130906068
trans-(1S,2S)-2-[2-(hydroxymethyl)piperidin-1-yl]cyclopentan-1-ol
CID 102734441
4-[2-(hydroxymethyl)piperidin-1-yl]azepan-2-one
CID 63887904
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol
CID 59215878
[(2S)-1-chloropyrrolidin-2-yl]methanol
CID 89280980
(2R)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 54340286
[1-[2-(aminomethyl)cyclohexyl]pyrrolidin-2-yl]methanol
CID 61407519
(1-aminopyrrolidin-2-yl)methanol
CID 13311692

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol (CID 54174381) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol is OCC1CCCN1C1NCCC1O.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol?
The InChIKey is UUAREHHUKAYXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-6-7-2-1-5-11(7)9-8(13)3-4-10-9/h7-10,12-13H,1-6H2.
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol has a molecular weight of 186.25 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 54174381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).