carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium

C9H8N4O3Re — CID 171365661

IUPACcarbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1c[nH+]c[n-]1.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C3H3N2.3CO.Re/c2*1-2-5-3-4-1;3*1-2;/h1-3H,(H,4,5);1-3H;;;;/q;-1;;;;/p+1
InChIKeyMWKJWVYGZYXKBL-UHFFFAOYSA-O
MW406.40 g/mol
LogP-0.25
Rot. Bonds

About carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium

carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium (PubChem CID 171365661) has the molecular formula C9H8N4O3Re and a molecular weight of 406.40 g/mol. Its IUPAC name is carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium.

Molecular Properties

Compound Namecarbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium
PubChem CID171365661
Molecular FormulaC9H8N4O3Re
Molecular Weight406.40 g/mol
Exact Mass407.02
IUPAC Namecarbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1c[nH+]c[n-]1.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C3H3N2.3CO.Re/c2*1-2-5-3-4-1;3*1-2;/h1-3H,(H,4,5);1-3H;;;;/q;-1;;;;/p+1
InChIKeyMWKJWVYGZYXKBL-UHFFFAOYSA-O
XLogP-0.25
TPSA116.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium?
The IUPAC name of carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium (CID 171365661) is carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium.
What is the SMILES notation for carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium?
The canonical SMILES for carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium is [C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1c[nH+]c[n-]1.c1c[nH]cn1.
What is the InChIKey of carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium?
The InChIKey is MWKJWVYGZYXKBL-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4N2.C3H3N2.3CO.Re/c2*1-2-5-3-4-1;3*1-2;/h1-3H,(H,4,5);1-3H;;;;/q;-1;;;;/p+1.
What are the key properties of carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium?
carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium has a molecular weight of 406.40 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1H-imidazole;imidazol-1-ium-3-ide;rhenium is sourced from PubChem (CID 171365661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).