1-benzylidenepyrrolidin-1-ium chloride

C11H14ClN — CID 10932360

IUPAC1-benzylidenepyrrolidin-1-ium chloride
SMILESC(c1ccccc1)=[N+]1CCCC1.[Cl-]
InChIInChI=1S/C11H14N.ClH/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;/h1-3,6-7,10H,4-5,8-9H2;1H/q+1;/p-1
InChIKeyMVWGMNLAWNRLJF-UHFFFAOYSA-M
MW195.69 g/mol
LogP-1.08
Rot. Bonds1

About 1-benzylidenepyrrolidin-1-ium chloride

1-benzylidenepyrrolidin-1-ium chloride (PubChem CID 10932360) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-benzylidenepyrrolidin-1-ium chloride.

Molecular Properties

Compound Name1-benzylidenepyrrolidin-1-ium chloride
PubChem CID10932360
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-benzylidenepyrrolidin-1-ium chloride
SMILESC(c1ccccc1)=[N+]1CCCC1.[Cl-]
InChIInChI=1S/C11H14N.ClH/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;/h1-3,6-7,10H,4-5,8-9H2;1H/q+1;/p-1
InChIKeyMVWGMNLAWNRLJF-UHFFFAOYSA-M
XLogP-1.08
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 5-1.08
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-benzylidenepyrrolidin-1-ium chloride?
The IUPAC name of 1-benzylidenepyrrolidin-1-ium chloride (CID 10932360) is 1-benzylidenepyrrolidin-1-ium chloride.
What is the SMILES notation for 1-benzylidenepyrrolidin-1-ium chloride?
The canonical SMILES for 1-benzylidenepyrrolidin-1-ium chloride is C(c1ccccc1)=[N+]1CCCC1.[Cl-].
What is the InChIKey of 1-benzylidenepyrrolidin-1-ium chloride?
The InChIKey is MVWGMNLAWNRLJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N.ClH/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;/h1-3,6-7,10H,4-5,8-9H2;1H/q+1;/p-1.
What are the key properties of 1-benzylidenepyrrolidin-1-ium chloride?
1-benzylidenepyrrolidin-1-ium chloride has a molecular weight of 195.69 g/mol, XLogP of -1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylidenepyrrolidin-1-ium chloride is sourced from PubChem (CID 10932360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).