2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol

C9H19NO2 — CID 130620462

IUPAC2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol
SMILESCC1(C)CC(CO)N(CCO)C1
InChIInChI=1S/C9H19NO2/c1-9(2)5-8(6-12)10(7-9)3-4-11/h8,11-12H,3-7H2,1-2H3
InChIKeyFMOHSEUSQHNATO-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.07
Rot. Bonds3

About 2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol

2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol (PubChem CID 130620462) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol
PubChem CID130620462
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol
SMILESCC1(C)CC(CO)N(CCO)C1
InChIInChI=1S/C9H19NO2/c1-9(2)5-8(6-12)10(7-9)3-4-11/h8,11-12H,3-7H2,1-2H3
InChIKeyFMOHSEUSQHNATO-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

Analyze 2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol 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-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol (CID 130620462) is 2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol is CC1(C)CC(CO)N(CCO)C1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol?
The InChIKey is FMOHSEUSQHNATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2)5-8(6-12)10(7-9)3-4-11/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol?
2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol 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 2-[2-(hydroxymethyl)-4,4-dimethylpyrrolidin-1-yl]ethanol is sourced from PubChem (CID 130620462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).