1-methylidenepyrrolidin-1-ium

C5H10N+ — CID 11789189

IUPAC1-methylidenepyrrolidin-1-ium
SMILESC=[N+]1CCCC1
InChIInChI=1S/C5H10N/c1-6-4-2-3-5-6/h1-5H2/q+1
InChIKeyOMYTXKOBZMPSIX-UHFFFAOYSA-N
MW84.14 g/mol
LogP0.49
Rot. Bonds

About 1-methylidenepyrrolidin-1-ium

1-methylidenepyrrolidin-1-ium (PubChem CID 11789189) has the molecular formula C5H10N+ and a molecular weight of 84.14 g/mol. Its IUPAC name is 1-methylidenepyrrolidin-1-ium.

Molecular Properties

Compound Name1-methylidenepyrrolidin-1-ium
PubChem CID11789189
Molecular FormulaC5H10N+
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC Name1-methylidenepyrrolidin-1-ium
SMILESC=[N+]1CCCC1
InChIInChI=1S/C5H10N/c1-6-4-2-3-5-6/h1-5H2/q+1
InChIKeyOMYTXKOBZMPSIX-UHFFFAOYSA-N
XLogP0.49
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylidenepyrrolidin-1-ium?
The IUPAC name of 1-methylidenepyrrolidin-1-ium (CID 11789189) is 1-methylidenepyrrolidin-1-ium.
What is the SMILES notation for 1-methylidenepyrrolidin-1-ium?
The canonical SMILES for 1-methylidenepyrrolidin-1-ium is C=[N+]1CCCC1.
What is the InChIKey of 1-methylidenepyrrolidin-1-ium?
The InChIKey is OMYTXKOBZMPSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N/c1-6-4-2-3-5-6/h1-5H2/q+1.
What are the key properties of 1-methylidenepyrrolidin-1-ium?
1-methylidenepyrrolidin-1-ium has a molecular weight of 84.14 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidenepyrrolidin-1-ium is sourced from PubChem (CID 11789189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).