4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol

C11H23NO2 — CID 115679530

IUPAC4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCC(CCO)C1
InChIInChI=1S/C11H23NO2/c1-11(2,14)5-7-12-6-3-10(9-12)4-8-13/h10,13-14H,3-9H2,1-2H3
InChIKeyUOZWPBCHJBIIMS-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.85
Rot. Bonds5

About 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol

4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol (PubChem CID 115679530) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
PubChem CID115679530
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCC(CCO)C1
InChIInChI=1S/C11H23NO2/c1-11(2,14)5-7-12-6-3-10(9-12)4-8-13/h10,13-14H,3-9H2,1-2H3
InChIKeyUOZWPBCHJBIIMS-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
3-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]propanoic acid
CID 79356125
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 114800023
2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol
CID 114800052
2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79356027
3-(2-chloroethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 114800614
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
CID 79316334
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol
CID 114800100

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol (CID 115679530) is 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol is CC(C)(O)CCN1CCC(CCO)C1.
What is the InChIKey of 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol?
The InChIKey is UOZWPBCHJBIIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,14)5-7-12-6-3-10(9-12)4-8-13/h10,13-14H,3-9H2,1-2H3.
What are the key properties of 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol?
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 115679530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).