(2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt

C7H15CoI3N2O- — CID 59888465

IUPAC(2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt
SMILESI[Co](I)I.[CH2-]CN/N=C(\CO)C(C)C
InChIInChI=1S/C7H15N2O.Co.3HI/c1-4-8-9-7(5-10)6(2)3;;;;/h6,8,10H,1,4-5H2,2-3H3;;3*1H/q-1;+3;;;/p-3/b9-7+;;;;
InChIKeyHKTMPQMVZUEPQZ-NOJKJMGTSA-K
MW582.85 g/mol
LogP3.07
Rot. Bonds4

About (2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt

(2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt (PubChem CID 59888465) has the molecular formula C7H15CoI3N2O- and a molecular weight of 582.85 g/mol. Its IUPAC name is (2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt.

Molecular Properties

Compound Name(2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt
PubChem CID59888465
Molecular FormulaC7H15CoI3N2O-
Molecular Weight582.85 g/mol
Exact Mass582.77
IUPAC Name(2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt
SMILESI[Co](I)I.[CH2-]CN/N=C(\CO)C(C)C
InChIInChI=1S/C7H15N2O.Co.3HI/c1-4-8-9-7(5-10)6(2)3;;;;/h6,8,10H,1,4-5H2,2-3H3;;3*1H/q-1;+3;;;/p-3/b9-7+;;;;
InChIKeyHKTMPQMVZUEPQZ-NOJKJMGTSA-K
XLogP3.07
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.85
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt?
The IUPAC name of (2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt (CID 59888465) is (2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt.
What is the SMILES notation for (2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt?
The canonical SMILES for (2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt is I[Co](I)I.[CH2-]CN/N=C(\CO)C(C)C.
What is the InChIKey of (2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt?
The InChIKey is HKTMPQMVZUEPQZ-NOJKJMGTSA-K. The full InChI is InChI=1S/C7H15N2O.Co.3HI/c1-4-8-9-7(5-10)6(2)3;;;;/h6,8,10H,1,4-5H2,2-3H3;;3*1H/q-1;+3;;;/p-3/b9-7+;;;;.
What are the key properties of (2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt?
(2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt has a molecular weight of 582.85 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(ethylhydrazinylidene)-3-methylbutan-1-ol;triiodocobalt is sourced from PubChem (CID 59888465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).