cobalt;(2-methylimidazol-1-yl) acetate

C6H8CoN2O2 — CID 174874912

IUPACcobalt;(2-methylimidazol-1-yl) acetate
SMILESCC(=O)On1ccnc1C.[Co]
InChIInChI=1S/C6H8N2O2.Co/c1-5-7-3-4-8(5)10-6(2)9;/h3-4H,1-2H3;
InChIKeyWVOZKRVLXAICGJ-UHFFFAOYSA-N
MW199.08 g/mol
LogP0.16
Rot. Bonds1

About cobalt;(2-methylimidazol-1-yl) acetate

cobalt;(2-methylimidazol-1-yl) acetate (PubChem CID 174874912) has the molecular formula C6H8CoN2O2 and a molecular weight of 199.08 g/mol. Its IUPAC name is cobalt;(2-methylimidazol-1-yl) acetate.

Molecular Properties

Compound Namecobalt;(2-methylimidazol-1-yl) acetate
PubChem CID174874912
Molecular FormulaC6H8CoN2O2
Molecular Weight199.08 g/mol
Exact Mass198.99
IUPAC Namecobalt;(2-methylimidazol-1-yl) acetate
SMILESCC(=O)On1ccnc1C.[Co]
InChIInChI=1S/C6H8N2O2.Co/c1-5-7-3-4-8(5)10-6(2)9;/h3-4H,1-2H3;
InChIKeyWVOZKRVLXAICGJ-UHFFFAOYSA-N
XLogP0.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cobalt;(2-methylimidazol-1-yl) acetate?
The IUPAC name of cobalt;(2-methylimidazol-1-yl) acetate (CID 174874912) is cobalt;(2-methylimidazol-1-yl) acetate.
What is the SMILES notation for cobalt;(2-methylimidazol-1-yl) acetate?
The canonical SMILES for cobalt;(2-methylimidazol-1-yl) acetate is CC(=O)On1ccnc1C.[Co].
What is the InChIKey of cobalt;(2-methylimidazol-1-yl) acetate?
The InChIKey is WVOZKRVLXAICGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.Co/c1-5-7-3-4-8(5)10-6(2)9;/h3-4H,1-2H3;.
What are the key properties of cobalt;(2-methylimidazol-1-yl) acetate?
cobalt;(2-methylimidazol-1-yl) acetate has a molecular weight of 199.08 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;(2-methylimidazol-1-yl) acetate is sourced from PubChem (CID 174874912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).