cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate

C7H5CdNO2 — CID 131634029

IUPACcadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate
SMILES[Cd+2].[H]/N=C1\C=CC=CC1=C([O-])[O-]
InChIInChI=1S/C7H7NO2.Cd/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8-10H;/q;+2/p-2/b8-6+;
InChIKeyOOGODLJSPNDUCO-WVLIHFOGSA-L
MW247.53 g/mol
LogP-0.94
Rot. Bonds

About cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate

cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate (PubChem CID 131634029) has the molecular formula C7H5CdNO2 and a molecular weight of 247.53 g/mol. Its IUPAC name is cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate.

Molecular Properties

Compound Namecadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate
PubChem CID131634029
Molecular FormulaC7H5CdNO2
Molecular Weight247.53 g/mol
Exact Mass248.94
IUPAC Namecadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate
SMILES[Cd+2].[H]/N=C1\C=CC=CC1=C([O-])[O-]
InChIInChI=1S/C7H7NO2.Cd/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8-10H;/q;+2/p-2/b8-6+;
InChIKeyOOGODLJSPNDUCO-WVLIHFOGSA-L
XLogP-0.94
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.53
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(6-Imino-2,4-cyclohexadien-1-ylidene)methanone
CID 12896155
Deuteriooxy-(4-iminocyclohexa-2,5-dien-1-ylidene)methanolate
CID 177476980

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate?
The IUPAC name of cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate (CID 131634029) is cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate.
What is the SMILES notation for cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate?
The canonical SMILES for cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate is [Cd+2].[H]/N=C1\C=CC=CC1=C([O-])[O-].
What is the InChIKey of cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate?
The InChIKey is OOGODLJSPNDUCO-WVLIHFOGSA-L. The full InChI is InChI=1S/C7H7NO2.Cd/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8-10H;/q;+2/p-2/b8-6+;.
What are the key properties of cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate?
cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate has a molecular weight of 247.53 g/mol, XLogP of -0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate is sourced from PubChem (CID 131634029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).