2-(2-iminopyrrolidin-1-yl)phenol chloride

C10H12ClN2O- — CID 53351090

IUPAC2-(2-iminopyrrolidin-1-yl)phenol chloride
SMILES[Cl-].[H]/N=C1\CCCN1c1ccccc1O
InChIInChI=1S/C10H12N2O.ClH/c11-10-6-3-7-12(10)8-4-1-2-5-9(8)13;/h1-2,4-5,11,13H,3,6-7H2;1H/p-1/b11-10+;
InChIKeyIIRTUXANYNDPIS-ASTDGNLGSA-M
MW211.67 g/mol
LogP-1.03
Rot. Bonds1

About 2-(2-iminopyrrolidin-1-yl)phenol chloride

2-(2-iminopyrrolidin-1-yl)phenol chloride (PubChem CID 53351090) has the molecular formula C10H12ClN2O- and a molecular weight of 211.67 g/mol. Its IUPAC name is 2-(2-iminopyrrolidin-1-yl)phenol chloride.

Molecular Properties

Compound Name2-(2-iminopyrrolidin-1-yl)phenol chloride
PubChem CID53351090
Molecular FormulaC10H12ClN2O-
Molecular Weight211.67 g/mol
Exact Mass211.06
IUPAC Name2-(2-iminopyrrolidin-1-yl)phenol chloride
SMILES[Cl-].[H]/N=C1\CCCN1c1ccccc1O
InChIInChI=1S/C10H12N2O.ClH/c11-10-6-3-7-12(10)8-4-1-2-5-9(8)13;/h1-2,4-5,11,13H,3,6-7H2;1H/p-1/b11-10+;
InChIKeyIIRTUXANYNDPIS-ASTDGNLGSA-M
XLogP-1.03
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iminopyrrolidin-1-yl)phenol chloride?
The IUPAC name of 2-(2-iminopyrrolidin-1-yl)phenol chloride (CID 53351090) is 2-(2-iminopyrrolidin-1-yl)phenol chloride.
What is the SMILES notation for 2-(2-iminopyrrolidin-1-yl)phenol chloride?
The canonical SMILES for 2-(2-iminopyrrolidin-1-yl)phenol chloride is [Cl-].[H]/N=C1\CCCN1c1ccccc1O.
What is the InChIKey of 2-(2-iminopyrrolidin-1-yl)phenol chloride?
The InChIKey is IIRTUXANYNDPIS-ASTDGNLGSA-M. The full InChI is InChI=1S/C10H12N2O.ClH/c11-10-6-3-7-12(10)8-4-1-2-5-9(8)13;/h1-2,4-5,11,13H,3,6-7H2;1H/p-1/b11-10+;.
What are the key properties of 2-(2-iminopyrrolidin-1-yl)phenol chloride?
2-(2-iminopyrrolidin-1-yl)phenol chloride has a molecular weight of 211.67 g/mol, XLogP of -1.03, 1 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)phenol chloride is sourced from PubChem (CID 53351090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).