[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+)

C8H9N2O4Rb — CID 59864458

IUPAC[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+)
SMILESCC1(C)OC(=O)C(=CC=N[NH-])C(=O)O1.[Rb+]
InChIInChI=1S/C8H10N2O4.Rb/c1-8(2)13-6(11)5(3-4-10-9)7(12)14-8;/h3-4H,1-2H3,(H2,9,11,12);/q;+1/p-1
InChIKeyURYHJYSVPSXWDC-UHFFFAOYSA-M
MW282.64 g/mol
LogP-2.21
Rot. Bonds1

About [2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+)

[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+) (PubChem CID 59864458) has the molecular formula C8H9N2O4Rb and a molecular weight of 282.64 g/mol. Its IUPAC name is [2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+).

Molecular Properties

Compound Name[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+)
PubChem CID59864458
Molecular FormulaC8H9N2O4Rb
Molecular Weight282.64 g/mol
Exact Mass281.97
IUPAC Name[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+)
SMILESCC1(C)OC(=O)C(=CC=N[NH-])C(=O)O1.[Rb+]
InChIInChI=1S/C8H10N2O4.Rb/c1-8(2)13-6(11)5(3-4-10-9)7(12)14-8;/h3-4H,1-2H3,(H2,9,11,12);/q;+1/p-1
InChIKeyURYHJYSVPSXWDC-UHFFFAOYSA-M
XLogP-2.21
TPSA88.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 5-2.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+)?
The IUPAC name of [2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+) (CID 59864458) is [2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+).
What is the SMILES notation for [2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+)?
The canonical SMILES for [2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+) is CC1(C)OC(=O)C(=CC=N[NH-])C(=O)O1.[Rb+].
What is the InChIKey of [2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+)?
The InChIKey is URYHJYSVPSXWDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O4.Rb/c1-8(2)13-6(11)5(3-4-10-9)7(12)14-8;/h3-4H,1-2H3,(H2,9,11,12);/q;+1/p-1.
What are the key properties of [2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+)?
[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+) has a molecular weight of 282.64 g/mol, XLogP of -2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+) is sourced from PubChem (CID 59864458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).