1-cyclopentyl-1-methylpyrrolidin-1-ium iodide

C10H20IN — CID 118976632

IUPAC1-cyclopentyl-1-methylpyrrolidin-1-ium iodide
SMILESC[N+]1(C2CCCC2)CCCC1.[I-]
InChIInChI=1S/C10H20N.HI/c1-11(8-4-5-9-11)10-6-2-3-7-10;/h10H,2-9H2,1H3;1H/q+1;/p-1
InChIKeyRXXGAKHIROCKTQ-UHFFFAOYSA-M
MW281.18 g/mol
LogP-0.83
Rot. Bonds1

About 1-cyclopentyl-1-methylpyrrolidin-1-ium iodide

1-cyclopentyl-1-methylpyrrolidin-1-ium iodide (PubChem CID 118976632) has the molecular formula C10H20IN and a molecular weight of 281.18 g/mol. Its IUPAC name is 1-cyclopentyl-1-methylpyrrolidin-1-ium iodide.

Molecular Properties

Compound Name1-cyclopentyl-1-methylpyrrolidin-1-ium iodide
PubChem CID118976632
Molecular FormulaC10H20IN
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name1-cyclopentyl-1-methylpyrrolidin-1-ium iodide
SMILESC[N+]1(C2CCCC2)CCCC1.[I-]
InChIInChI=1S/C10H20N.HI/c1-11(8-4-5-9-11)10-6-2-3-7-10;/h10H,2-9H2,1H3;1H/q+1;/p-1
InChIKeyRXXGAKHIROCKTQ-UHFFFAOYSA-M
XLogP-0.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-methylpyrrolidin-1-ium iodide?
The IUPAC name of 1-cyclopentyl-1-methylpyrrolidin-1-ium iodide (CID 118976632) is 1-cyclopentyl-1-methylpyrrolidin-1-ium iodide.
What is the SMILES notation for 1-cyclopentyl-1-methylpyrrolidin-1-ium iodide?
The canonical SMILES for 1-cyclopentyl-1-methylpyrrolidin-1-ium iodide is C[N+]1(C2CCCC2)CCCC1.[I-].
What is the InChIKey of 1-cyclopentyl-1-methylpyrrolidin-1-ium iodide?
The InChIKey is RXXGAKHIROCKTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20N.HI/c1-11(8-4-5-9-11)10-6-2-3-7-10;/h10H,2-9H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-cyclopentyl-1-methylpyrrolidin-1-ium iodide?
1-cyclopentyl-1-methylpyrrolidin-1-ium iodide has a molecular weight of 281.18 g/mol, XLogP of -0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-methylpyrrolidin-1-ium iodide is sourced from PubChem (CID 118976632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).