2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide

C7H16INO — CID 10539047

IUPAC2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide
SMILESC[N+]1(CCO)CCCC1.[I-]
InChIInChI=1S/C7H16NO.HI/c1-8(6-7-9)4-2-3-5-8;/h9H,2-7H2,1H3;1H/q+1;/p-1
InChIKeyRGHGPCQNOLHSAI-UHFFFAOYSA-M
MW257.11 g/mol
LogP-2.78
Rot. Bonds2

About 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide

2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide (PubChem CID 10539047) has the molecular formula C7H16INO and a molecular weight of 257.11 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide
PubChem CID10539047
Molecular FormulaC7H16INO
Molecular Weight257.11 g/mol
Exact Mass257.03
IUPAC Name2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide
SMILESC[N+]1(CCO)CCCC1.[I-]
InChIInChI=1S/C7H16NO.HI/c1-8(6-7-9)4-2-3-5-8;/h9H,2-7H2,1H3;1H/q+1;/p-1
InChIKeyRGHGPCQNOLHSAI-UHFFFAOYSA-M
XLogP-2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 5-2.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide?
The IUPAC name of 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide (CID 10539047) is 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide.
What is the SMILES notation for 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide?
The canonical SMILES for 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide is C[N+]1(CCO)CCCC1.[I-].
What is the InChIKey of 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide?
The InChIKey is RGHGPCQNOLHSAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO.HI/c1-8(6-7-9)4-2-3-5-8;/h9H,2-7H2,1H3;1H/q+1;/p-1.
What are the key properties of 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide?
2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide has a molecular weight of 257.11 g/mol, XLogP of -2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide is sourced from PubChem (CID 10539047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).