(1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol

C8H17NO — CID 59861736

IUPAC(1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol
SMILESC[C@H](O)[C@@]1(C)CCCN1C
InChIInChI=1S/C8H17NO/c1-7(10)8(2)5-4-6-9(8)3/h7,10H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyNEGQUSXRPXGEEU-JGVFFNPUSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds1

About (1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol

(1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol (PubChem CID 59861736) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol
PubChem CID59861736
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol
SMILESC[C@H](O)[C@@]1(C)CCCN1C
InChIInChI=1S/C8H17NO/c1-7(10)8(2)5-4-6-9(8)3/h7,10H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyNEGQUSXRPXGEEU-JGVFFNPUSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
N-methylpyrrolidinylpropanol
CID 20609780
(2-Ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
CID 123449239
[1-(2-Fluoroethyl)-2-methylpyrrolidin-2-yl]methanol
CID 130644994
1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol
CID 155201055
Propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol
CID 163397426
[1-(3-Fluoropropyl)-2-methylpyrrolidin-2-yl]methanol
CID 163598888
[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
CID 164878963
[(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164878972
1-(2-Fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethanol
CID 165123848
1-((2R,7AS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)ethan-1-ol
CID 166452560
(1,2-Diethyl-4,4-difluoropyrrolidin-2-yl)methanol
CID 166534101

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol (CID 59861736) is (1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol is C[C@H](O)[C@@]1(C)CCCN1C.
What is the InChIKey of (1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol?
The InChIKey is NEGQUSXRPXGEEU-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(10)8(2)5-4-6-9(8)3/h7,10H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol?
(1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 59861736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).