cobalt;bis(ethane-1,2-diamine);oxalic acid

C6H18CoN4O4 — CID 50897291

IUPACcobalt;bis(ethane-1,2-diamine);oxalic acid
SMILESNCCN.NCCN.O=C(O)C(=O)O.[Co]
InChIInChI=1S/2C2H8N2.C2H2O4.Co/c2*3-1-2-4;3-1(4)2(5)6;/h2*1-4H2;(H,3,4)(H,5,6);
InChIKeyRVXYLPVQQLEPON-UHFFFAOYSA-N
MW269.17 g/mol
LogP-3.04
Rot. Bonds2

About cobalt;bis(ethane-1,2-diamine);oxalic acid

cobalt;bis(ethane-1,2-diamine);oxalic acid (PubChem CID 50897291) has the molecular formula C6H18CoN4O4 and a molecular weight of 269.17 g/mol. Its IUPAC name is cobalt;bis(ethane-1,2-diamine);oxalic acid.

Molecular Properties

Compound Namecobalt;bis(ethane-1,2-diamine);oxalic acid
PubChem CID50897291
Molecular FormulaC6H18CoN4O4
Molecular Weight269.17 g/mol
Exact Mass269.07
IUPAC Namecobalt;bis(ethane-1,2-diamine);oxalic acid
SMILESNCCN.NCCN.O=C(O)C(=O)O.[Co]
InChIInChI=1S/2C2H8N2.C2H2O4.Co/c2*3-1-2-4;3-1(4)2(5)6;/h2*1-4H2;(H,3,4)(H,5,6);
InChIKeyRVXYLPVQQLEPON-UHFFFAOYSA-N
XLogP-3.04
TPSA178.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.17
LogP ≤ 5-3.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;ethane-1,2-diamine
CID 22445535
carbonic acid;tris(ethane-1,2-diamine)
CID 173023593
carbonic acid;bis(ethane-1,2-diamine)
CID 174908365
oxalic acid;bis(propan-1-amine)
CID 173398819
disodium;acetic acid;cobalt;ethane-1,2-diamine;hydride
CID 173463386
acetic acid;ethane-1,2-diamine;ytterbium
CID 158635793
acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
acetic acid;copper;ethane-1,2-diamine
CID 155386634
CID 160895097
CID 160895097
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
acetic acid;copper;ethane-1,2-diamine
CID 88782929
guanidine;oxalic acid
CID 18421375

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(ethane-1,2-diamine);oxalic acid?
The IUPAC name of cobalt;bis(ethane-1,2-diamine);oxalic acid (CID 50897291) is cobalt;bis(ethane-1,2-diamine);oxalic acid.
What is the SMILES notation for cobalt;bis(ethane-1,2-diamine);oxalic acid?
The canonical SMILES for cobalt;bis(ethane-1,2-diamine);oxalic acid is NCCN.NCCN.O=C(O)C(=O)O.[Co].
What is the InChIKey of cobalt;bis(ethane-1,2-diamine);oxalic acid?
The InChIKey is RVXYLPVQQLEPON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H8N2.C2H2O4.Co/c2*3-1-2-4;3-1(4)2(5)6;/h2*1-4H2;(H,3,4)(H,5,6);.
What are the key properties of cobalt;bis(ethane-1,2-diamine);oxalic acid?
cobalt;bis(ethane-1,2-diamine);oxalic acid has a molecular weight of 269.17 g/mol, XLogP of -3.04, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(ethane-1,2-diamine);oxalic acid is sourced from PubChem (CID 50897291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).