5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol

C6H13NO3 — CID 57027107

IUPAC5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol
SMILESCN1CC(O)(O)CC1CO
InChIInChI=1S/C6H13NO3/c1-7-4-6(9,10)2-5(7)3-8/h5,8-10H,2-4H2,1H3
InChIKeyUYPQQOIHLQXWHF-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.64
Rot. Bonds1

About 5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol

5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol (PubChem CID 57027107) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol
PubChem CID57027107
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol
SMILESCN1CC(O)(O)CC1CO
InChIInChI=1S/C6H13NO3/c1-7-4-6(9,10)2-5(7)3-8/h5,8-10H,2-4H2,1H3
InChIKeyUYPQQOIHLQXWHF-UHFFFAOYSA-N
XLogP-1.64
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol;tungsten
CID 170766869
[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methanol
CID 146250684
(5-methyl-5-azaspiro[2.3]hexan-2-yl)methanol
CID 84647955
2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol
CID 130620462
(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
CID 133109107
ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 142979346
[(2S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol
CID 59117705
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
(2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol
CID 177009446
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
3-(2-hydroxyethyl)-1,5-dimethylpyrrolidin-3-ol
CID 178127919
[(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 170901141

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol?
The IUPAC name of 5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol (CID 57027107) is 5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol.
What is the SMILES notation for 5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol?
The canonical SMILES for 5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol is CN1CC(O)(O)CC1CO.
What is the InChIKey of 5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol?
The InChIKey is UYPQQOIHLQXWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7-4-6(9,10)2-5(7)3-8/h5,8-10H,2-4H2,1H3.
What are the key properties of 5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol?
5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol has a molecular weight of 147.17 g/mol, XLogP of -1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-methylpyrrolidine-3,3-diol is sourced from PubChem (CID 57027107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).