1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine

C14H17N — CID 134852248

IUPAC1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine
SMILESC1=CC(=C/C=C/C=C/N2CCCC2)C=C1
InChIInChI=1S/C14H17N/c1(2-8-14-9-3-4-10-14)5-11-15-12-6-7-13-15/h1-5,8-11H,6-7,12-13H2/b2-1+,11-5+
InChIKeyCXYUIHMMPSVJMF-UAIOPKHMSA-N
MW199.30 g/mol
LogP3.20
Rot. Bonds3

About 1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine

1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine (PubChem CID 134852248) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine
PubChem CID134852248
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine
SMILESC1=CC(=C/C=C/C=C/N2CCCC2)C=C1
InChIInChI=1S/C14H17N/c1(2-8-14-9-3-4-10-14)5-11-15-12-6-7-13-15/h1-5,8-11H,6-7,12-13H2/b2-1+,11-5+
InChIKeyCXYUIHMMPSVJMF-UAIOPKHMSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine?
The IUPAC name of 1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine (CID 134852248) is 1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine?
The canonical SMILES for 1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine is C1=CC(=C/C=C/C=C/N2CCCC2)C=C1.
What is the InChIKey of 1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine?
The InChIKey is CXYUIHMMPSVJMF-UAIOPKHMSA-N. The full InChI is InChI=1S/C14H17N/c1(2-8-14-9-3-4-10-14)5-11-15-12-6-7-13-15/h1-5,8-11H,6-7,12-13H2/b2-1+,11-5+.
What are the key properties of 1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine?
1-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine has a molecular weight of 199.30 g/mol, XLogP of 3.20, 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-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine is sourced from PubChem (CID 134852248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).