1-methylpyrrolidin-2-imine;hydroiodide

C5H11IN2 — CID 90654248

IUPAC1-methylpyrrolidin-2-imine;hydroiodide
SMILESI.[H]/N=C1\CCCN1C
InChIInChI=1S/C5H10N2.HI/c1-7-4-2-3-5(7)6;/h6H,2-4H2,1H3;1H/b6-5+;
InChIKeyCAOPTMWQSMZJAK-IPZCTEOASA-N
MW226.06 g/mol
LogP1.31
Rot. Bonds

About 1-methylpyrrolidin-2-imine;hydroiodide

1-methylpyrrolidin-2-imine;hydroiodide (PubChem CID 90654248) has the molecular formula C5H11IN2 and a molecular weight of 226.06 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-imine;hydroiodide.

Molecular Properties

Compound Name1-methylpyrrolidin-2-imine;hydroiodide
PubChem CID90654248
Molecular FormulaC5H11IN2
Molecular Weight226.06 g/mol
Exact Mass226.00
IUPAC Name1-methylpyrrolidin-2-imine;hydroiodide
SMILESI.[H]/N=C1\CCCN1C
InChIInChI=1S/C5H10N2.HI/c1-7-4-2-3-5(7)6;/h6H,2-4H2,1H3;1H/b6-5+;
InChIKeyCAOPTMWQSMZJAK-IPZCTEOASA-N
XLogP1.31
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-imine;hydroiodide?
The IUPAC name of 1-methylpyrrolidin-2-imine;hydroiodide (CID 90654248) is 1-methylpyrrolidin-2-imine;hydroiodide.
What is the SMILES notation for 1-methylpyrrolidin-2-imine;hydroiodide?
The canonical SMILES for 1-methylpyrrolidin-2-imine;hydroiodide is I.[H]/N=C1\CCCN1C.
What is the InChIKey of 1-methylpyrrolidin-2-imine;hydroiodide?
The InChIKey is CAOPTMWQSMZJAK-IPZCTEOASA-N. The full InChI is InChI=1S/C5H10N2.HI/c1-7-4-2-3-5(7)6;/h6H,2-4H2,1H3;1H/b6-5+;.
What are the key properties of 1-methylpyrrolidin-2-imine;hydroiodide?
1-methylpyrrolidin-2-imine;hydroiodide has a molecular weight of 226.06 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-imine;hydroiodide is sourced from PubChem (CID 90654248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).