2-(hydroxymethyl)-1-methylpyrrolidin-3-ol

C6H13NO2 — CID 20607201

IUPAC2-(hydroxymethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)C1CO
InChIInChI=1S/C6H13NO2/c1-7-3-2-6(9)5(7)4-8/h5-6,8-9H,2-4H2,1H3
InChIKeyJIEDOEWYXRIQIR-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.96
Rot. Bonds1

About 2-(hydroxymethyl)-1-methylpyrrolidin-3-ol

2-(hydroxymethyl)-1-methylpyrrolidin-3-ol (PubChem CID 20607201) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-methylpyrrolidin-3-ol
PubChem CID20607201
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-(hydroxymethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)C1CO
InChIInChI=1S/C6H13NO2/c1-7-3-2-6(9)5(7)4-8/h5-6,8-9H,2-4H2,1H3
InChIKeyJIEDOEWYXRIQIR-UHFFFAOYSA-N
XLogP-0.96
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(hydroxymethyl)-1-methylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 2-(hydroxymethyl)-1-methylpyrrolidin-3-ol (CID 20607201) is 2-(hydroxymethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-1-methylpyrrolidin-3-ol is CN1CCC(O)C1CO.
What is the InChIKey of 2-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is JIEDOEWYXRIQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-3-2-6(9)5(7)4-8/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
2-(hydroxymethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 131.18 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 20607201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).