1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide

C13H23IN2 — CID 20832430

IUPAC1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide
SMILESCC(/C=C(/C)N1CCCC1)=[N+]1CCCC1.[I-]
InChIInChI=1S/C13H23N2.HI/c1-12(14-7-3-4-8-14)11-13(2)15-9-5-6-10-15;/h11H,3-10H2,1-2H3;1H/q+1;/p-1
InChIKeyLVUMZNUSUXASQZ-UHFFFAOYSA-M
MW334.25 g/mol
LogP-0.74
Rot. Bonds2

About 1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide

1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide (PubChem CID 20832430) has the molecular formula C13H23IN2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide.

Molecular Properties

Compound Name1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide
PubChem CID20832430
Molecular FormulaC13H23IN2
Molecular Weight334.25 g/mol
Exact Mass334.09
IUPAC Name1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide
SMILESCC(/C=C(/C)N1CCCC1)=[N+]1CCCC1.[I-]
InChIInChI=1S/C13H23N2.HI/c1-12(14-7-3-4-8-14)11-13(2)15-9-5-6-10-15;/h11H,3-10H2,1-2H3;1H/q+1;/p-1
InChIKeyLVUMZNUSUXASQZ-UHFFFAOYSA-M
XLogP-0.74
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide?
The IUPAC name of 1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide (CID 20832430) is 1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide.
What is the SMILES notation for 1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide?
The canonical SMILES for 1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide is CC(/C=C(/C)N1CCCC1)=[N+]1CCCC1.[I-].
What is the InChIKey of 1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide?
The InChIKey is LVUMZNUSUXASQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H23N2.HI/c1-12(14-7-3-4-8-14)11-13(2)15-9-5-6-10-15;/h11H,3-10H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide?
1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide has a molecular weight of 334.25 g/mol, XLogP of -0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine iodide is sourced from PubChem (CID 20832430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).