(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

C24H37N2+ — CID 54331321

IUPAC(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
SMILESCCC1=C(/C=C/C2=[N+](CC)CCC2)CCCC1=C/C=C1\CCCN1CC
InChIInChI=1S/C24H37N2/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/h14-17H,4-13,18-19H2,1-3H3/q+1
InChIKeyKKZZRAMVGIQNGP-UHFFFAOYSA-N
MW353.57 g/mol
LogP5.63
Rot. Bonds6

About (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

(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 54331321) has the molecular formula C24H37N2+ and a molecular weight of 353.57 g/mol. Its IUPAC name is (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(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 CID54331321
Molecular FormulaC24H37N2+
Molecular Weight353.57 g/mol
Exact Mass353.30
IUPAC Name(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
SMILESCCC1=C(/C=C/C2=[N+](CC)CCC2)CCCC1=C/C=C1\CCCN1CC
InChIInChI=1S/C24H37N2/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/h14-17H,4-13,18-19H2,1-3H3/q+1
InChIKeyKKZZRAMVGIQNGP-UHFFFAOYSA-N
XLogP5.63
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (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 (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 54331321) is (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 (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 (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 CCC1=C(/C=C/C2=[N+](CC)CCC2)CCCC1=C/C=C1\CCCN1CC.
What is the InChIKey of (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 KKZZRAMVGIQNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N2/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/h14-17H,4-13,18-19H2,1-3H3/q+1.
What are the key properties of (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?
(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 353.57 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (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 54331321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).