6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+)

C11H14NRbRe — CID 59339957

IUPAC6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+)
SMILESC=Cc1[c-]c(C)c(C)[c-][n+]1CC.[Rb+].[Re]
InChIInChI=1S/C11H14N.Rb.Re/c1-5-11-7-9(3)10(4)8-12(11)6-2;;/h5H,1,6H2,2-4H3;;/q-1;+1;
InChIKeyQGTZKHTWNNXIKA-UHFFFAOYSA-N
MW431.92 g/mol
LogP-1.14
Rot. Bonds2

About 6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+)

6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+) (PubChem CID 59339957) has the molecular formula C11H14NRbRe and a molecular weight of 431.92 g/mol. Its IUPAC name is 6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+).

Molecular Properties

Compound Name6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+)
PubChem CID59339957
Molecular FormulaC11H14NRbRe
Molecular Weight431.92 g/mol
Exact Mass431.98
IUPAC Name6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+)
SMILESC=Cc1[c-]c(C)c(C)[c-][n+]1CC.[Rb+].[Re]
InChIInChI=1S/C11H14N.Rb.Re/c1-5-11-7-9(3)10(4)8-12(11)6-2;;/h5H,1,6H2,2-4H3;;/q-1;+1;
InChIKeyQGTZKHTWNNXIKA-UHFFFAOYSA-N
XLogP-1.14
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
Dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 101015672
Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
(4-Methanidylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 57880709
4-methylidene-N-propylcyclohexa-2,5-dien-1-imine
CID 59057512
(4-Methylidenecyclohexa-2,5-dien-1-ylidene)-dipropylazanium
CID 59057566
6-Ethenyl-3,4-dimethyl-2,5-dihydropyridine-2,5-diide;rhenium;rubidium(1+)
CID 59339964
Rhenium;rubidium(1+);1,3,4,6-tetramethyl-2,5-dihydropyridin-1-ium-2,5-diide
CID 59997632
N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 123630844
Dimethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 123872429
Diethyl-(3-methyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 124031712
Ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium
CID 174194136

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+)?
The IUPAC name of 6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+) (CID 59339957) is 6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+).
What is the SMILES notation for 6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+)?
The canonical SMILES for 6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+) is C=Cc1[c-]c(C)c(C)[c-][n+]1CC.[Rb+].[Re].
What is the InChIKey of 6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+)?
The InChIKey is QGTZKHTWNNXIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N.Rb.Re/c1-5-11-7-9(3)10(4)8-12(11)6-2;;/h5H,1,6H2,2-4H3;;/q-1;+1;.
What are the key properties of 6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+)?
6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+) has a molecular weight of 431.92 g/mol, XLogP of -1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+) is sourced from PubChem (CID 59339957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).