2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol

C9H19NO2 — CID 134871230

IUPAC2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol
SMILESCN1[C@H](CCO)CC[C@@H]1CCO
InChIInChI=1S/C9H19NO2/c1-10-8(4-6-11)2-3-9(10)5-7-12/h8-9,11-12H,2-7H2,1H3/t8-,9+
InChIKeyOVIYNUAEWFLNCR-DTORHVGOSA-N
MW173.26 g/mol
LogP0.21
Rot. Bonds4

About 2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol

2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol (PubChem CID 134871230) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol
PubChem CID134871230
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol
SMILESCN1[C@H](CCO)CC[C@@H]1CCO
InChIInChI=1S/C9H19NO2/c1-10-8(4-6-11)2-3-9(10)5-7-12/h8-9,11-12H,2-7H2,1H3/t8-,9+
InChIKeyOVIYNUAEWFLNCR-DTORHVGOSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Methylpyrrolidin-2-yl)propan-2-ol
CID 270601
1-Methyl-2-pyrrolidineethanol
CID 93363
2-Pyrrolidinepropanol, 1-methyl-
CID 12261672
(S)-1-((S)-1-Methylpyrrolidin-2-yl)propan-2-ol
CID 11029951
Pseudohygroline
CID 12310695
(alphaR,2R)-alpha,1-Dimethyl-2-pyrrolidineethanol
CID 442642
(+)-Pseudohygroline
CID 11029949
2,5-Dimethylpyrrolidine-1-propanol
CID 102712
(R)-2-(1-methylpyrrolidin-2-yl)ethanol
CID 6950163
Tropine hydrate
CID 16218784
1-Methyl-2-pyrrolidineethanol, (2S)-
CID 643501
1-(13-Hydroxytridecyl)-1-methylpyrrolidinium
CID 4318347

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol (CID 134871230) is 2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol is CN1[C@H](CCO)CC[C@@H]1CCO.
What is the InChIKey of 2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol?
The InChIKey is OVIYNUAEWFLNCR-DTORHVGOSA-N. The full InChI is InChI=1S/C9H19NO2/c1-10-8(4-6-11)2-3-9(10)5-7-12/h8-9,11-12H,2-7H2,1H3/t8-,9+.
What are the key properties of 2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol?
2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol has a molecular weight of 173.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 134871230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).