cobalt(2+);3-ethyl-1H-imidazol-3-ium

C5H9CoN2+3 — CID 175733465

IUPACcobalt(2+);3-ethyl-1H-imidazol-3-ium
SMILESCC[n+]1cc[nH]c1.[Co+2]
InChIInChI=1S/C5H8N2.Co/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;/q;+2/p+1
InChIKeyHJOPGOMONHKGPF-UHFFFAOYSA-O
MW156.07 g/mol
LogP0.32
Rot. Bonds1

About cobalt(2+);3-ethyl-1H-imidazol-3-ium

cobalt(2+);3-ethyl-1H-imidazol-3-ium (PubChem CID 175733465) has the molecular formula C5H9CoN2+3 and a molecular weight of 156.07 g/mol. Its IUPAC name is cobalt(2+);3-ethyl-1H-imidazol-3-ium.

Molecular Properties

Compound Namecobalt(2+);3-ethyl-1H-imidazol-3-ium
PubChem CID175733465
Molecular FormulaC5H9CoN2+3
Molecular Weight156.07 g/mol
Exact Mass156.01
IUPAC Namecobalt(2+);3-ethyl-1H-imidazol-3-ium
SMILESCC[n+]1cc[nH]c1.[Co+2]
InChIInChI=1S/C5H8N2.Co/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;/q;+2/p+1
InChIKeyHJOPGOMONHKGPF-UHFFFAOYSA-O
XLogP0.32
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.07
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);3-ethyl-1H-imidazol-3-ium?
The IUPAC name of cobalt(2+);3-ethyl-1H-imidazol-3-ium (CID 175733465) is cobalt(2+);3-ethyl-1H-imidazol-3-ium.
What is the SMILES notation for cobalt(2+);3-ethyl-1H-imidazol-3-ium?
The canonical SMILES for cobalt(2+);3-ethyl-1H-imidazol-3-ium is CC[n+]1cc[nH]c1.[Co+2].
What is the InChIKey of cobalt(2+);3-ethyl-1H-imidazol-3-ium?
The InChIKey is HJOPGOMONHKGPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8N2.Co/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;/q;+2/p+1.
What are the key properties of cobalt(2+);3-ethyl-1H-imidazol-3-ium?
cobalt(2+);3-ethyl-1H-imidazol-3-ium has a molecular weight of 156.07 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);3-ethyl-1H-imidazol-3-ium is sourced from PubChem (CID 175733465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).