[3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol

C9H19NO2 — CID 170928343

IUPAC[3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
SMILESCC(C)N1CCC(CO)(CO)C1
InChIInChI=1S/C9H19NO2/c1-8(2)10-4-3-9(5-10,6-11)7-12/h8,11-12H,3-7H2,1-2H3
InChIKeyQFVOKHDFFALCCQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.07
Rot. Bonds3

About [3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol

[3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol (PubChem CID 170928343) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
PubChem CID170928343
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name[3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
SMILESCC(C)N1CCC(CO)(CO)C1
InChIInChI=1S/C9H19NO2/c1-8(2)10-4-3-9(5-10,6-11)7-12/h8,11-12H,3-7H2,1-2H3
InChIKeyQFVOKHDFFALCCQ-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
(3-Fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 131018705
[1-(1-Fluoropropan-2-yl)pyrrolidin-3-yl]methanol
CID 156294522
[(3R,4R)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 177295195
[(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 177295287
[1-Propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 105464838
(1-Butan-2-yl-3-fluoropyrrolidin-3-yl)methanol
CID 126989170
[1-(2,2-Dimethylpropyl)-3-fluoropyrrolidin-3-yl]methanol
CID 130677437
[1-(2-Fluoroethyl)-3-methylpyrrolidin-3-yl]methanol
CID 130684690
[1-(2-Methoxyethyl)-3-methylpyrrolidin-3-yl]methanol
CID 296278
[3-(Hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol
CID 15107440
2-(Diethylaminomethyl)-2-ethylpropane-1,3-diol
CID 18979315

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol (CID 170928343) is [3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol is CC(C)N1CCC(CO)(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
The InChIKey is QFVOKHDFFALCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)10-4-3-9(5-10,6-11)7-12/h8,11-12H,3-7H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol?
[3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol has a molecular weight of 173.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 170928343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).