cobalt;1-ethylindole-6-carbonitrile

C11H9CoN2- — CID 58657427

IUPACcobalt;1-ethylindole-6-carbonitrile
SMILES[CH2-]Cn1ccc2ccc(C#N)cc21.[Co]
InChIInChI=1S/C11H9N2.Co/c1-2-13-6-5-10-4-3-9(8-12)7-11(10)13;/h3-7H,1-2H2;/q-1;
InChIKeyZTAODSMMPVREGG-UHFFFAOYSA-N
MW228.14 g/mol
LogP2.34
Rot. Bonds1

About cobalt;1-ethylindole-6-carbonitrile

cobalt;1-ethylindole-6-carbonitrile (PubChem CID 58657427) has the molecular formula C11H9CoN2- and a molecular weight of 228.14 g/mol. Its IUPAC name is cobalt;1-ethylindole-6-carbonitrile.

Molecular Properties

Compound Namecobalt;1-ethylindole-6-carbonitrile
PubChem CID58657427
Molecular FormulaC11H9CoN2-
Molecular Weight228.14 g/mol
Exact Mass228.01
IUPAC Namecobalt;1-ethylindole-6-carbonitrile
SMILES[CH2-]Cn1ccc2ccc(C#N)cc21.[Co]
InChIInChI=1S/C11H9N2.Co/c1-2-13-6-5-10-4-3-9(8-12)7-11(10)13;/h3-7H,1-2H2;/q-1;
InChIKeyZTAODSMMPVREGG-UHFFFAOYSA-N
XLogP2.34
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enylindole-6-carbonitrile
CID 107917180
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638
1-(pyridin-4-ylmethyl)indole-6-carbonitrile
CID 107916985
cobalt;1-ethyl-6-fluoroindole
CID 58657570
1-pent-4-enylindole-6-carbonitrile
CID 107917054
1-(naphthalen-2-ylmethyl)indole-6-carbonitrile
CID 91690044
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
1-[(1-methylpyrazol-3-yl)methyl]indole-6-carbonitrile
CID 107917098
1-(3-methyl-2-oxobutyl)indole-6-carbonitrile
CID 107916815
1-hydroxyindole-6-carbonitrile
CID 13415512

Frequently Asked Questions

What is the IUPAC name of cobalt;1-ethylindole-6-carbonitrile?
The IUPAC name of cobalt;1-ethylindole-6-carbonitrile (CID 58657427) is cobalt;1-ethylindole-6-carbonitrile.
What is the SMILES notation for cobalt;1-ethylindole-6-carbonitrile?
The canonical SMILES for cobalt;1-ethylindole-6-carbonitrile is [CH2-]Cn1ccc2ccc(C#N)cc21.[Co].
What is the InChIKey of cobalt;1-ethylindole-6-carbonitrile?
The InChIKey is ZTAODSMMPVREGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2.Co/c1-2-13-6-5-10-4-3-9(8-12)7-11(10)13;/h3-7H,1-2H2;/q-1;.
What are the key properties of cobalt;1-ethylindole-6-carbonitrile?
cobalt;1-ethylindole-6-carbonitrile has a molecular weight of 228.14 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;1-ethylindole-6-carbonitrile is sourced from PubChem (CID 58657427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).