1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine

C20H26N3+ — CID 59085247

IUPAC1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine
SMILESCN1C=CC(=CC=C2CC(=CC=CC3=CC=[N+](C)C3)N(C)C2)C1
InChIInChI=1S/C20H26N3/c1-21-11-9-17(14-21)5-4-6-20-13-19(16-23(20)3)8-7-18-10-12-22(2)15-18/h4-12H,13-16H2,1-3H3/q+1
InChIKeyQUQBSOPRRSXMBU-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.73
Rot. Bonds3

About 1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine

1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine (PubChem CID 59085247) has the molecular formula C20H26N3+ and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine
PubChem CID59085247
Molecular FormulaC20H26N3+
Molecular Weight308.45 g/mol
Exact Mass308.21
IUPAC Name1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine
SMILESCN1C=CC(=CC=C2CC(=CC=CC3=CC=[N+](C)C3)N(C)C2)C1
InChIInChI=1S/C20H26N3/c1-21-11-9-17(14-21)5-4-6-20-13-19(16-23(20)3)8-7-18-10-12-22(2)15-18/h4-12H,13-16H2,1-3H3/q+1
InChIKeyQUQBSOPRRSXMBU-UHFFFAOYSA-N
XLogP2.73
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[2-[5-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]pyrrolidin-3-ylidene]ethylidene]-2H-pyrrole
CID 59872882
N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine
CID 91253432
ethane;1-methyl-3-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-2H-pyrrole
CID 91292357
N-ethenyl-3,4-dimethyl-1-[(2E)-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-3-methylidenepyrrol-1-yl]pent-3-en-2-imine
CID 130349690
(1E,3E)-8-[(2E)-1-ethyl-3-methylidene-2-prop-2-enylidenepyridin-1-ium-4-yl]-N,N-dimethylocta-1,3,5,7-tetraen-1-amine
CID 136621642
N,N-dipropylcyclopenta[f]isoindol-6-amine
CID 140994204
N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine
CID 142955183
(E)-N-ethenyl-3-methylpent-2-en-1-imine;1-methylpyrrolidine;prop-1-en-2-amine
CID 143260278
(2E,4Z)-3-[(2E,3Z)-2,3-di(ethylidene)-4,4-dimethylpyrrolidin-1-yl]-N-methylhexa-2,4-dien-1-imine;ethane
CID 144340187
N-[(1E)-1-(3-methylidene-1-propylpyrrol-2-ylidene)ethyl]ethanimine
CID 156122110
methane;1-methyl-3-[2-[5-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]pyrrolidin-3-ylidene]ethylidene]-2H-pyrrole
CID 158940519
methane;1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine
CID 159928779

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine?
The IUPAC name of 1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine (CID 59085247) is 1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine?
The canonical SMILES for 1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine is CN1C=CC(=CC=C2CC(=CC=CC3=CC=[N+](C)C3)N(C)C2)C1.
What is the InChIKey of 1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine?
The InChIKey is QUQBSOPRRSXMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N3/c1-21-11-9-17(14-21)5-4-6-20-13-19(16-23(20)3)8-7-18-10-12-22(2)15-18/h4-12H,13-16H2,1-3H3/q+1.
What are the key properties of 1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine?
1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine has a molecular weight of 308.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine is sourced from PubChem (CID 59085247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).