1-benzylidenepyrrolidin-1-ium

C11H14N+ — CID 10932361

IUPAC1-benzylidenepyrrolidin-1-ium
SMILESC(c1ccccc1)=[N+]1CCCC1
InChIInChI=1S/C11H14N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7,10H,4-5,8-9H2/q+1
InChIKeyKDAKWZMPBYOSMV-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.91
Rot. Bonds1

About 1-benzylidenepyrrolidin-1-ium

1-benzylidenepyrrolidin-1-ium (PubChem CID 10932361) has the molecular formula C11H14N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-benzylidenepyrrolidin-1-ium.

Molecular Properties

Compound Name1-benzylidenepyrrolidin-1-ium
PubChem CID10932361
Molecular FormulaC11H14N+
Molecular Weight160.24 g/mol
Exact Mass160.11
IUPAC Name1-benzylidenepyrrolidin-1-ium
SMILESC(c1ccccc1)=[N+]1CCCC1
InChIInChI=1S/C11H14N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7,10H,4-5,8-9H2/q+1
InChIKeyKDAKWZMPBYOSMV-UHFFFAOYSA-N
XLogP1.91
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.91
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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Related Compounds

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N-Benzylidenepropylamine
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2,3-Dihydro-1-methyl-4-phenylpyridinium
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Butylamine, N-benzylidene-
CID 296031
Benzylideneoctylamine
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2-Propen-1-amine, N-(phenylmethylene)-
CID 144271
1-Propanamine, 2-methyl-N-(phenylmethylene)-
CID 11805067
(E)-N-isopentyl-1-phenylmethanimine
CID 15061859
1-(3-Phenylprop-2-yn-1-yl)pyrrolidine
CID 1940130

Frequently Asked Questions

What is the IUPAC name of 1-benzylidenepyrrolidin-1-ium?
The IUPAC name of 1-benzylidenepyrrolidin-1-ium (CID 10932361) is 1-benzylidenepyrrolidin-1-ium.
What is the SMILES notation for 1-benzylidenepyrrolidin-1-ium?
The canonical SMILES for 1-benzylidenepyrrolidin-1-ium is C(c1ccccc1)=[N+]1CCCC1.
What is the InChIKey of 1-benzylidenepyrrolidin-1-ium?
The InChIKey is KDAKWZMPBYOSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7,10H,4-5,8-9H2/q+1.
What are the key properties of 1-benzylidenepyrrolidin-1-ium?
1-benzylidenepyrrolidin-1-ium has a molecular weight of 160.24 g/mol, XLogP of 1.91, 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 is sourced from PubChem (CID 10932361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).