1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine

C14H23N2+ — CID 2317716

IUPAC1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCCC1=[N+]1CCCC1
InChIInChI=1S/C14H23N2/c1-2-9-15(8-1)13-6-5-7-14(12-13)16-10-3-4-11-16/h12H,1-11H2/q+1
InChIKeyRNRTUJRRICBVIQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.40
Rot. Bonds1

About 1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine

1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine (PubChem CID 2317716) has the molecular formula C14H23N2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine
PubChem CID2317716
Molecular FormulaC14H23N2+
Molecular Weight219.35 g/mol
Exact Mass219.19
IUPAC Name1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCCC1=[N+]1CCCC1
InChIInChI=1S/C14H23N2/c1-2-9-15(8-1)13-6-5-7-14(12-13)16-10-3-4-11-16/h12H,1-11H2/q+1
InChIKeyRNRTUJRRICBVIQ-UHFFFAOYSA-N
XLogP2.40
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine?
The IUPAC name of 1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine (CID 2317716) is 1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine is C1=C(N2CCCC2)CCCC1=[N+]1CCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine?
The InChIKey is RNRTUJRRICBVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2/c1-2-9-15(8-1)13-6-5-7-14(12-13)16-10-3-4-11-16/h12H,1-11H2/q+1.
What are the key properties of 1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine?
1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 2317716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).