2-(2-iminopyrrolidin-1-yl)ethanol

C6H12N2O — CID 54533091

IUPAC2-(2-iminopyrrolidin-1-yl)ethanol
SMILES[H]/N=C1\CCCN1CCO
InChIInChI=1S/C6H12N2O/c7-6-2-1-3-8(6)4-5-9/h7,9H,1-5H2/b7-6+
InChIKeyYXWWRXQTKNXBJQ-VOTSOKGWSA-N
MW128.18 g/mol
LogP0.05
Rot. Bonds2

About 2-(2-iminopyrrolidin-1-yl)ethanol

2-(2-iminopyrrolidin-1-yl)ethanol (PubChem CID 54533091) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 2-(2-iminopyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-iminopyrrolidin-1-yl)ethanol
PubChem CID54533091
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name2-(2-iminopyrrolidin-1-yl)ethanol
SMILES[H]/N=C1\CCCN1CCO
InChIInChI=1S/C6H12N2O/c7-6-2-1-3-8(6)4-5-9/h7,9H,1-5H2/b7-6+
InChIKeyYXWWRXQTKNXBJQ-VOTSOKGWSA-N
XLogP0.05
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Ethanimidoylpyrrolidin-3-ol
CID 17919898
1-(2-Iminopyrrolidin-1-yl)ethanol
CID 20331649
2-Imino-2-pyrrolidin-1-ylethanol
CID 21646843
1-(2-Methoxyethyl)pyrrolidin-2-imine
CID 43121979
(R)-1-(1-Iminoethyl)pyrrolidin-3-ol
CID 71355673
N-(2-hydroxyethyl)-N-methylpropanimidamide
CID 144438001
1-Butanimidoylpyrrolidin-3-ol
CID 163544855
1-(2-Iminoethanimidoyl)pyrrolidin-3-ol
CID 170743564
3-Imino-3-pyrrolidin-1-ylpropan-1-ol
CID 121598975

Frequently Asked Questions

What is the IUPAC name of 2-(2-iminopyrrolidin-1-yl)ethanol?
The IUPAC name of 2-(2-iminopyrrolidin-1-yl)ethanol (CID 54533091) is 2-(2-iminopyrrolidin-1-yl)ethanol.
What is the SMILES notation for 2-(2-iminopyrrolidin-1-yl)ethanol?
The canonical SMILES for 2-(2-iminopyrrolidin-1-yl)ethanol is [H]/N=C1\CCCN1CCO.
What is the InChIKey of 2-(2-iminopyrrolidin-1-yl)ethanol?
The InChIKey is YXWWRXQTKNXBJQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2O/c7-6-2-1-3-8(6)4-5-9/h7,9H,1-5H2/b7-6+.
What are the key properties of 2-(2-iminopyrrolidin-1-yl)ethanol?
2-(2-iminopyrrolidin-1-yl)ethanol has a molecular weight of 128.18 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminopyrrolidin-1-yl)ethanol is sourced from PubChem (CID 54533091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).