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

C7H16NO+ — CID 6950164

IUPAC2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol
SMILESC[NH+]1CCC[C@H]1CCO
InChIInChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3/p+1/t7-/m0/s1
InChIKeyFYVMBPXFPFAECB-ZETCQYMHSA-O
MW130.21 g/mol
LogP-0.95
Rot. Bonds2

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

2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol (PubChem CID 6950164) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol
PubChem CID6950164
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol
SMILESC[NH+]1CCC[C@H]1CCO
InChIInChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3/p+1/t7-/m0/s1
InChIKeyFYVMBPXFPFAECB-ZETCQYMHSA-O
XLogP-0.95
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol (CID 6950164) is 2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol is C[NH+]1CCC[C@H]1CCO.
What is the InChIKey of 2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol?
The InChIKey is FYVMBPXFPFAECB-ZETCQYMHSA-O. The full InChI is InChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3/p+1/t7-/m0/s1.
What are the key properties of 2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol?
2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol has a molecular weight of 130.21 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethanol is sourced from PubChem (CID 6950164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).