1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium

C11H18N+ — CID 123176271

IUPAC1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium
SMILESC1=C(C=[N+]2CCCC2)CCCC1
InChIInChI=1S/C11H18N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h6,10H,1-5,7-9H2/q+1
InChIKeyJDQBEEONWFLKNW-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.36
Rot. Bonds1

About 1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium

1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium (PubChem CID 123176271) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium
PubChem CID123176271
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Name1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium
SMILESC1=C(C=[N+]2CCCC2)CCCC1
InChIInChI=1S/C11H18N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h6,10H,1-5,7-9H2/q+1
InChIKeyJDQBEEONWFLKNW-UHFFFAOYSA-N
XLogP2.36
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.36
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

5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
CID 89056573
5-(1-Methylpyrrolidin-3-yl)-2,3-dihydropyridine
CID 90789433
N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 123907392
1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]pyrrolidin-1-ium
CID 124162294
(Z)-N-methyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 134590337
(Z)-N-ethyl-2-(1-methylpyrrolidin-2-yl)but-2-en-1-imine
CID 166785535
5-(1-Methylpyrrolidin-2-yl)-2,3-dihydropyridine
CID 174192908
5-But-3-enyl-1-hex-5-enyl-2,3-dihydropyridin-1-ium
CID 102121857

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium?
The IUPAC name of 1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium (CID 123176271) is 1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium.
What is the SMILES notation for 1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium?
The canonical SMILES for 1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium is C1=C(C=[N+]2CCCC2)CCCC1.
What is the InChIKey of 1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium?
The InChIKey is JDQBEEONWFLKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h6,10H,1-5,7-9H2/q+1.
What are the key properties of 1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium?
1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium has a molecular weight of 164.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-ylmethylidene)pyrrolidin-1-ium is sourced from PubChem (CID 123176271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).