1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine

C13H21N2+ — CID 5475351

IUPAC1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine
SMILESC(/C=C/C=C/N1CCCC1)=[N+]1CCCC1
InChIInChI=1S/C13H21N2/c1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15/h1-3,8-9H,4-7,10-13H2/q+1
InChIKeyMMTNBXZFJBWNAY-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.03
Rot. Bonds3

About 1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine

1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine (PubChem CID 5475351) has the molecular formula C13H21N2+ and a molecular weight of 205.33 g/mol. Its IUPAC name is 1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine
PubChem CID5475351
Molecular FormulaC13H21N2+
Molecular Weight205.33 g/mol
Exact Mass205.17
IUPAC Name1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine
SMILESC(/C=C/C=C/N1CCCC1)=[N+]1CCCC1
InChIInChI=1S/C13H21N2/c1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15/h1-3,8-9H,4-7,10-13H2/q+1
InChIKeyMMTNBXZFJBWNAY-UHFFFAOYSA-N
XLogP2.03
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', '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-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine?
The IUPAC name of 1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine (CID 5475351) is 1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine?
The canonical SMILES for 1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine is C(/C=C/C=C/N1CCCC1)=[N+]1CCCC1.
What is the InChIKey of 1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine?
The InChIKey is MMTNBXZFJBWNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2/c1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15/h1-3,8-9H,4-7,10-13H2/q+1.
What are the key properties of 1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine?
1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine has a molecular weight of 205.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine is sourced from PubChem (CID 5475351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).