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

C8H17NO — CID 59861735

IUPAC1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol
SMILESCC(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-MQWKRIRWSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds1

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

1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol (PubChem CID 59861735) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol
PubChem CID59861735
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol
SMILESCC(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-MQWKRIRWSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol?
The IUPAC name of 1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol (CID 59861735) is 1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol is CC(O)[C@]1(C)CCCN1C.
What is the InChIKey of 1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol?
The InChIKey is NEGQUSXRPXGEEU-MQWKRIRWSA-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 1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol?
1-[(2S)-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 1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 59861735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).