2-(3-methylpyrrolidin-2-yl)ethanol

C7H15NO — CID 55286766

IUPAC2-(3-methylpyrrolidin-2-yl)ethanol
SMILESCC1CCNC1CCO
InChIInChI=1S/C7H15NO/c1-6-2-4-8-7(6)3-5-9/h6-9H,2-5H2,1H3
InChIKeyXPKMLNJUYRXHNC-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.37
Rot. Bonds2

About 2-(3-methylpyrrolidin-2-yl)ethanol

2-(3-methylpyrrolidin-2-yl)ethanol (PubChem CID 55286766) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-2-yl)ethanol
PubChem CID55286766
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(3-methylpyrrolidin-2-yl)ethanol
SMILESCC1CCNC1CCO
InChIInChI=1S/C7H15NO/c1-6-2-4-8-7(6)3-5-9/h6-9H,2-5H2,1H3
InChIKeyXPKMLNJUYRXHNC-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-2-yl)ethanol?
The IUPAC name of 2-(3-methylpyrrolidin-2-yl)ethanol (CID 55286766) is 2-(3-methylpyrrolidin-2-yl)ethanol.
What is the SMILES notation for 2-(3-methylpyrrolidin-2-yl)ethanol?
The canonical SMILES for 2-(3-methylpyrrolidin-2-yl)ethanol is CC1CCNC1CCO.
What is the InChIKey of 2-(3-methylpyrrolidin-2-yl)ethanol?
The InChIKey is XPKMLNJUYRXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-2-4-8-7(6)3-5-9/h6-9H,2-5H2,1H3.
What are the key properties of 2-(3-methylpyrrolidin-2-yl)ethanol?
2-(3-methylpyrrolidin-2-yl)ethanol has a molecular weight of 129.20 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-2-yl)ethanol is sourced from PubChem (CID 55286766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).