2-(3,4-dimethylpyrrolidin-1-yl)ethanol

C8H17NO — CID 3048267

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)ethanol
SMILESCC1CN(CCO)CC1C
InChIInChI=1S/C8H17NO/c1-7-5-9(3-4-10)6-8(7)2/h7-8,10H,3-6H2,1-2H3
InChIKeyQWLXIIXHTIUNAM-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.57
Rot. Bonds2

About 2-(3,4-dimethylpyrrolidin-1-yl)ethanol

2-(3,4-dimethylpyrrolidin-1-yl)ethanol (PubChem CID 3048267) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)ethanol
PubChem CID3048267
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)ethanol
SMILESCC1CN(CCO)CC1C
InChIInChI=1S/C8H17NO/c1-7-5-9(3-4-10)6-8(7)2/h7-8,10H,3-6H2,1-2H3
InChIKeyQWLXIIXHTIUNAM-UHFFFAOYSA-N
XLogP0.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)ethanol?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)ethanol (CID 3048267) is 2-(3,4-dimethylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)ethanol is CC1CN(CCO)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)ethanol?
The InChIKey is QWLXIIXHTIUNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-5-9(3-4-10)6-8(7)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)ethanol?
2-(3,4-dimethylpyrrolidin-1-yl)ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 3048267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).