3-iodopyrrolidine;hydrochloride

C4H9ClIN — CID 66569499

IUPAC3-iodopyrrolidine;hydrochloride
SMILESCl.IC1CCNC1
InChIInChI=1S/C4H8IN.ClH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H
InChIKeyOWOZJBZGOHJRBB-UHFFFAOYSA-N
MW233.48 g/mol
LogP1.21
Rot. Bonds

About 3-iodopyrrolidine;hydrochloride

3-iodopyrrolidine;hydrochloride (PubChem CID 66569499) has the molecular formula C4H9ClIN and a molecular weight of 233.48 g/mol. Its IUPAC name is 3-iodopyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-iodopyrrolidine;hydrochloride
PubChem CID66569499
Molecular FormulaC4H9ClIN
Molecular Weight233.48 g/mol
Exact Mass232.95
IUPAC Name3-iodopyrrolidine;hydrochloride
SMILESCl.IC1CCNC1
InChIInChI=1S/C4H8IN.ClH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H
InChIKeyOWOZJBZGOHJRBB-UHFFFAOYSA-N
XLogP1.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.48
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodopyrrolidine;hydrochloride?
The IUPAC name of 3-iodopyrrolidine;hydrochloride (CID 66569499) is 3-iodopyrrolidine;hydrochloride.
What is the SMILES notation for 3-iodopyrrolidine;hydrochloride?
The canonical SMILES for 3-iodopyrrolidine;hydrochloride is Cl.IC1CCNC1.
What is the InChIKey of 3-iodopyrrolidine;hydrochloride?
The InChIKey is OWOZJBZGOHJRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8IN.ClH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H.
What are the key properties of 3-iodopyrrolidine;hydrochloride?
3-iodopyrrolidine;hydrochloride has a molecular weight of 233.48 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopyrrolidine;hydrochloride is sourced from PubChem (CID 66569499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).