ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine

C26H43N2+ — CID 54331320

About ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine

ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine (PubChem CID 54331320) has the molecular formula C26H43N2+ and a molecular weight of 383.64 g/mol. Its IUPAC name is ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine.

Molecular Properties

• Compound Name: ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine
• PubChem CID: 54331320
• Molecular Formula: C26H43N2+
• Molecular Weight: 383.64 g/mol
• Exact Mass: 383.34
• IUPAC Name: ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine
• SMILES: CC.CCC1=C(/C=C/C2=[N+](CC)CCC2)CCCC1=C/C=C1\CCCN1CC
• InChI: InChI=1S/C24H37N2.C2H6/c1-4-24-20(14-16-22-12-8-18-25(22)5-2)10-7-11-21(24)15-17-23-13-9-19-26(23)6-3;1-2/h14-17H,4-13,18-19H2,1-3H3;1-2H3/q+1
• InChIKey: UIZWRMDACRTIGJ-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 6.25 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.64
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine?

The IUPAC name of ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine (CID 54331320) is ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine.

What is the SMILES notation for ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine?

The canonical SMILES for ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine is CC.CCC1=C(/C=C/C2=[N+](CC)CCC2)CCCC1=C/C=C1\CCCN1CC.

What is the InChIKey of ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine?

The InChIKey is UIZWRMDACRTIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N2.C2H6/c1-4-24-20(14-16-22-12-8-18-25(22)5-2)10-7-11-21(24)15-17-23-13-9-19-26(23)6-3;1-2/h14-17H,4-13,18-19H2,1-3H3;1-2H3/q+1;.

What are the key properties of ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine?

ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine has a molecular weight of 383.64 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(2E)-1-ethyl-2-[2-[2-ethyl-3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine is sourced from PubChem (CID 54331320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).