1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine

C13H20FN — CID 145149534

IUPAC1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine
SMILESC/C=C\C(F)=C/C(=C\C)CN1CCCC1
InChIInChI=1S/C13H20FN/c1-3-7-13(14)10-12(4-2)11-15-8-5-6-9-15/h3-4,7,10H,5-6,8-9,11H2,1-2H3/b7-3-,12-4+,13-10+
InChIKeyCGKIVWXWYZCFEV-CRDKURICSA-N
MW209.31 g/mol
LogP3.46
Rot. Bonds4

About 1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine

1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine (PubChem CID 145149534) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine
PubChem CID145149534
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine
SMILESC/C=C\C(F)=C/C(=C\C)CN1CCCC1
InChIInChI=1S/C13H20FN/c1-3-7-13(14)10-12(4-2)11-15-8-5-6-9-15/h3-4,7,10H,5-6,8-9,11H2,1-2H3/b7-3-,12-4+,13-10+
InChIKeyCGKIVWXWYZCFEV-CRDKURICSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.46
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-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine?
The IUPAC name of 1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine (CID 145149534) is 1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine?
The canonical SMILES for 1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine is C/C=C\C(F)=C/C(=C\C)CN1CCCC1.
What is the InChIKey of 1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine?
The InChIKey is CGKIVWXWYZCFEV-CRDKURICSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-7-13(14)10-12(4-2)11-15-8-5-6-9-15/h3-4,7,10H,5-6,8-9,11H2,1-2H3/b7-3-,12-4+,13-10+.
What are the key properties of 1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine?
1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine has a molecular weight of 209.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,3E,5Z)-2-ethylidene-4-fluorohepta-3,5-dienyl]pyrrolidine is sourced from PubChem (CID 145149534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).