2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol

C9H19NO — CID 117017383

IUPAC2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(CCO)C1(C)C
InChIInChI=1S/C9H19NO/c1-9(2)8(5-7-11)4-6-10(9)3/h8,11H,4-7H2,1-3H3
InChIKeyIVTOAADKFUUFMC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds2

About 2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol

2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol (PubChem CID 117017383) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol
PubChem CID117017383
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(CCO)C1(C)C
InChIInChI=1S/C9H19NO/c1-9(2)8(5-7-11)4-6-10(9)3/h8,11H,4-7H2,1-3H3
InChIKeyIVTOAADKFUUFMC-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)ethanol
CID 117017387
2-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)ethanol
CID 117017392
(1,2,2-trimethylpiperidin-3-yl)methanol
CID 117019756
2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol
CID 117024655
2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol
CID 117019517
5-[methyl-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]amino]-5-oxopentanoic acid
CID 126445732
[1-(2-methoxyethyl)-2,2-dimethylpyrrolidin-3-yl]methanol
CID 117017703
2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024701
N-methyl-1-(1,2,2-trimethylpiperidin-3-yl)methanamine
CID 117019831
2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024704
N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide
CID 125168045
1-tert-butyl-2-(2-hydroxyethyl)cyclobutan-1-ol
CID 86129641

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol (CID 117017383) is 2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol is CN1CCC(CCO)C1(C)C.
What is the InChIKey of 2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol?
The InChIKey is IVTOAADKFUUFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)8(5-7-11)4-6-10(9)3/h8,11H,4-7H2,1-3H3.
What are the key properties of 2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol?
2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 117017383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).