1-methylidenepyrrolidin-1-ium chloride

C5H10ClN — CID 11789188

IUPAC1-methylidenepyrrolidin-1-ium chloride
SMILESC=[N+]1CCCC1.[Cl-]
InChIInChI=1S/C5H10N.ClH/c1-6-4-2-3-5-6;/h1-5H2;1H/q+1;/p-1
InChIKeyFGMJNFYMDMPABN-UHFFFAOYSA-M
MW119.60 g/mol
LogP-2.50
Rot. Bonds

About 1-methylidenepyrrolidin-1-ium chloride

1-methylidenepyrrolidin-1-ium chloride (PubChem CID 11789188) has the molecular formula C5H10ClN and a molecular weight of 119.60 g/mol. Its IUPAC name is 1-methylidenepyrrolidin-1-ium chloride.

Molecular Properties

Compound Name1-methylidenepyrrolidin-1-ium chloride
PubChem CID11789188
Molecular FormulaC5H10ClN
Molecular Weight119.60 g/mol
Exact Mass119.05
IUPAC Name1-methylidenepyrrolidin-1-ium chloride
SMILESC=[N+]1CCCC1.[Cl-]
InChIInChI=1S/C5H10N.ClH/c1-6-4-2-3-5-6;/h1-5H2;1H/q+1;/p-1
InChIKeyFGMJNFYMDMPABN-UHFFFAOYSA-M
XLogP-2.50
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.60
LogP ≤ 5-2.50
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 chloride?
The IUPAC name of 1-methylidenepyrrolidin-1-ium chloride (CID 11789188) is 1-methylidenepyrrolidin-1-ium chloride.
What is the SMILES notation for 1-methylidenepyrrolidin-1-ium chloride?
The canonical SMILES for 1-methylidenepyrrolidin-1-ium chloride is C=[N+]1CCCC1.[Cl-].
What is the InChIKey of 1-methylidenepyrrolidin-1-ium chloride?
The InChIKey is FGMJNFYMDMPABN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10N.ClH/c1-6-4-2-3-5-6;/h1-5H2;1H/q+1;/p-1.
What are the key properties of 1-methylidenepyrrolidin-1-ium chloride?
1-methylidenepyrrolidin-1-ium chloride has a molecular weight of 119.60 g/mol, XLogP of -2.50, 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 chloride is sourced from PubChem (CID 11789188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).