(2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine

C24H37N2+ — CID 171840864

IUPAC(2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine
SMILESCN1CCC(C)(C)/C1=C\C=C1\C=C(/C=C/C2=[N+](C)CCC2(C)C)CCC1
InChIInChI=1S/C24H37N2/c1-23(2)14-16-25(5)21(23)12-10-19-8-7-9-20(18-19)11-13-22-24(3,4)15-17-26(22)6/h10-13,18H,7-9,14-17H2,1-6H3/q+1
InChIKeyPRGDLIFDKYNFAP-UHFFFAOYSA-N
MW353.57 g/mol
LogP5.34
Rot. Bonds3

About (2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine

(2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine (PubChem CID 171840864) has the molecular formula C24H37N2+ and a molecular weight of 353.57 g/mol. Its IUPAC name is (2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine.

Molecular Properties

Compound Name(2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine
PubChem CID171840864
Molecular FormulaC24H37N2+
Molecular Weight353.57 g/mol
Exact Mass353.30
IUPAC Name(2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine
SMILESCN1CCC(C)(C)/C1=C\C=C1\C=C(/C=C/C2=[N+](C)CCC2(C)C)CCC1
InChIInChI=1S/C24H37N2/c1-23(2)14-16-25(5)21(23)12-10-19-8-7-9-20(18-19)11-13-22-24(3,4)15-17-26(22)6/h10-13,18H,7-9,14-17H2,1-6H3/q+1
InChIKeyPRGDLIFDKYNFAP-UHFFFAOYSA-N
XLogP5.34
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 55.34
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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Related Compounds

1-(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine iodide
CID 15945020
5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine iodide
CID 15945262
N,N-diethyl-5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine iodide
CID 15945344
1-(5,5-Dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)pyrrolidine;iodide
CID 2308084
5,5-dimethyl-N,N-dipropyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine
CID 2315545
N,N-diethyl-5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine
CID 2315561
ethane;(2E)-2-[2-[2-ethyl-3-[(E)-2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-methylpyrrolidine
CID 53673090
ethane;(2E)-1-ethyl-2-[2-[3-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]pyrrolidine
CID 53721778
1,2,3-trimethyl-5-[5-(1,2,3-trimethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pent-4-enylidene]pyrrolidine
CID 53730434
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
ethane;(2E)-1-methyl-2-[2-[2-methyl-3-[(E)-2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine
CID 54474464
1,3,3-Trimethyl-2-[3-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)prop-2-enylidene]pyrrolidine
CID 59032513

Frequently Asked Questions

What is the IUPAC name of (2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine?
The IUPAC name of (2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine (CID 171840864) is (2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine.
What is the SMILES notation for (2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine?
The canonical SMILES for (2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine is CN1CCC(C)(C)/C1=C\C=C1\C=C(/C=C/C2=[N+](C)CCC2(C)C)CCC1.
What is the InChIKey of (2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine?
The InChIKey is PRGDLIFDKYNFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N2/c1-23(2)14-16-25(5)21(23)12-10-19-8-7-9-20(18-19)11-13-22-24(3,4)15-17-26(22)6/h10-13,18H,7-9,14-17H2,1-6H3/q+1.
What are the key properties of (2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine?
(2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine has a molecular weight of 353.57 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1,3,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]pyrrolidine is sourced from PubChem (CID 171840864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).