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

C13H23N2+ — CID 5475676

IUPAC1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine
SMILESCC(/C=C(\C)N1CCCC1)=[N+]1CCCC1
InChIInChI=1S/C13H23N2/c1-12(14-7-3-4-8-14)11-13(2)15-9-5-6-10-15/h11H,3-10H2,1-2H3/q+1
InChIKeyBHGMYXXBHMAYOR-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.25
Rot. Bonds2

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

1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine (PubChem CID 5475676) has the molecular formula C13H23N2+ and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine
PubChem CID5475676
Molecular FormulaC13H23N2+
Molecular Weight207.34 g/mol
Exact Mass207.19
IUPAC Name1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine
SMILESCC(/C=C(\C)N1CCCC1)=[N+]1CCCC1
InChIInChI=1S/C13H23N2/c1-12(14-7-3-4-8-14)11-13(2)15-9-5-6-10-15/h11H,3-10H2,1-2H3/q+1
InChIKeyBHGMYXXBHMAYOR-UHFFFAOYSA-N
XLogP2.25
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.25
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-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine?
The IUPAC name of 1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine (CID 5475676) is 1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine?
The canonical SMILES for 1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine is CC(/C=C(\C)N1CCCC1)=[N+]1CCCC1.
What is the InChIKey of 1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine?
The InChIKey is BHGMYXXBHMAYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2/c1-12(14-7-3-4-8-14)11-13(2)15-9-5-6-10-15/h11H,3-10H2,1-2H3/q+1.
What are the key properties of 1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine?
1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine has a molecular weight of 207.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-pyrrolidin-1-ium-1-ylidenepent-2-en-2-yl]pyrrolidine is sourced from PubChem (CID 5475676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).