2-[(2S)-1-methylpyrrolidin-2-yl]ethanol

C7H15NO — CID 643501

IUPAC2-[(2S)-1-methylpyrrolidin-2-yl]ethanol
SMILESCN1CCC[C@H]1CCO
InChIInChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyFYVMBPXFPFAECB-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.46
Rot. Bonds2

About 2-[(2S)-1-methylpyrrolidin-2-yl]ethanol

2-[(2S)-1-methylpyrrolidin-2-yl]ethanol (PubChem CID 643501) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-[(2S)-1-methylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-methylpyrrolidin-2-yl]ethanol
PubChem CID643501
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-[(2S)-1-methylpyrrolidin-2-yl]ethanol
SMILESCN1CCC[C@H]1CCO
InChIInChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyFYVMBPXFPFAECB-ZETCQYMHSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methylpyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-methylpyrrolidin-2-yl]ethanol (CID 643501) is 2-[(2S)-1-methylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-methylpyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-methylpyrrolidin-2-yl]ethanol is CN1CCC[C@H]1CCO.
What is the InChIKey of 2-[(2S)-1-methylpyrrolidin-2-yl]ethanol?
The InChIKey is FYVMBPXFPFAECB-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-1-methylpyrrolidin-2-yl]ethanol?
2-[(2S)-1-methylpyrrolidin-2-yl]ethanol has a molecular weight of 129.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 643501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).