2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol

C8H18NO+ — CID 3031594

IUPAC2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol
SMILESC[N+]1(C)CCCC1CCO
InChIInChI=1S/C8H18NO/c1-9(2)6-3-4-8(9)5-7-10/h8,10H,3-7H2,1-2H3/q+1
InChIKeyWPGCSTLGBYILPS-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.61
Rot. Bonds2

About 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol

2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol (PubChem CID 3031594) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol
PubChem CID3031594
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol
SMILESC[N+]1(C)CCCC1CCO
InChIInChI=1S/C8H18NO/c1-9(2)6-3-4-8(9)5-7-10/h8,10H,3-7H2,1-2H3/q+1
InChIKeyWPGCSTLGBYILPS-UHFFFAOYSA-N
XLogP0.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol?
The IUPAC name of 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol (CID 3031594) is 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol.
What is the SMILES notation for 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol?
The canonical SMILES for 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol is C[N+]1(C)CCCC1CCO.
What is the InChIKey of 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol?
The InChIKey is WPGCSTLGBYILPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-9(2)6-3-4-8(9)5-7-10/h8,10H,3-7H2,1-2H3/q+1.
What are the key properties of 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol?
2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol has a molecular weight of 144.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethylpyrrolidin-1-ium-2-yl)ethanol is sourced from PubChem (CID 3031594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).