1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine

C10H17N — CID 12530644

IUPAC1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine
SMILESC/C=C/C=C/CN1CCCC1
InChIInChI=1S/C10H17N/c1-2-3-4-5-8-11-9-6-7-10-11/h2-5H,6-10H2,1H3/b3-2+,5-4+
InChIKeyAEJSYRPBCWBLNA-MQQKCMAXSA-N
MW151.25 g/mol
LogP2.21
Rot. Bonds3

About 1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine

1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine (PubChem CID 12530644) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine
PubChem CID12530644
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine
SMILESC/C=C/C=C/CN1CCCC1
InChIInChI=1S/C10H17N/c1-2-3-4-5-8-11-9-6-7-10-11/h2-5H,6-10H2,1H3/b3-2+,5-4+
InChIKeyAEJSYRPBCWBLNA-MQQKCMAXSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.21
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,4E)-hexa-2,4-dienyl]pyrrolidine?
The IUPAC name of 1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine (CID 12530644) is 1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine?
The canonical SMILES for 1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine is C/C=C/C=C/CN1CCCC1.
What is the InChIKey of 1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine?
The InChIKey is AEJSYRPBCWBLNA-MQQKCMAXSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-5-8-11-9-6-7-10-11/h2-5H,6-10H2,1H3/b3-2+,5-4+.
What are the key properties of 1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine?
1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine is sourced from PubChem (CID 12530644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).