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

C13H23N — CID 126604091

IUPAC1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine
SMILESCCC/C=C\C=C(/C)CN1CCCC1
InChIInChI=1S/C13H23N/c1-3-4-5-6-9-13(2)12-14-10-7-8-11-14/h5-6,9H,3-4,7-8,10-12H2,1-2H3/b6-5-,13-9+
InChIKeyGFDKHGPADIYVEP-PWYSQUBCSA-N
MW193.33 g/mol
LogP3.38
Rot. Bonds5

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

1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine (PubChem CID 126604091) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine
PubChem CID126604091
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine
SMILESCCC/C=C\C=C(/C)CN1CCCC1
InChIInChI=1S/C13H23N/c1-3-4-5-6-9-13(2)12-14-10-7-8-11-14/h5-6,9H,3-4,7-8,10-12H2,1-2H3/b6-5-,13-9+
InChIKeyGFDKHGPADIYVEP-PWYSQUBCSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.38
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,4Z)-2-methylocta-2,4-dienyl]pyrrolidine?
The IUPAC name of 1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine (CID 126604091) is 1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine?
The canonical SMILES for 1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine is CCC/C=C\C=C(/C)CN1CCCC1.
What is the InChIKey of 1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine?
The InChIKey is GFDKHGPADIYVEP-PWYSQUBCSA-N. The full InChI is InChI=1S/C13H23N/c1-3-4-5-6-9-13(2)12-14-10-7-8-11-14/h5-6,9H,3-4,7-8,10-12H2,1-2H3/b6-5-,13-9+.
What are the key properties of 1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine?
1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine has a molecular weight of 193.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-2-methylocta-2,4-dienyl]pyrrolidine is sourced from PubChem (CID 126604091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).