cobalt(2+);2-methylpropanenitrile;penta-1,3-diene

C9H13CoN — CID 150721318

IUPACcobalt(2+);2-methylpropanenitrile;penta-1,3-diene
SMILESC[C-](C)C#N.[Co+2].[H]/[C-]=C\C=CC
InChIInChI=1S/C5H7.C4H6N.Co/c1-3-5-4-2;1-4(2)3-5;/h1,3-5H,2H3;1-2H3;/q2*-1;+2
InChIKeyJPXNDCWZYCQETP-UHFFFAOYSA-N
MW194.14 g/mol
LogP2.67
Rot. Bonds1

About cobalt(2+);2-methylpropanenitrile;penta-1,3-diene

cobalt(2+);2-methylpropanenitrile;penta-1,3-diene (PubChem CID 150721318) has the molecular formula C9H13CoN and a molecular weight of 194.14 g/mol. Its IUPAC name is cobalt(2+);2-methylpropanenitrile;penta-1,3-diene.

Molecular Properties

Compound Namecobalt(2+);2-methylpropanenitrile;penta-1,3-diene
PubChem CID150721318
Molecular FormulaC9H13CoN
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Namecobalt(2+);2-methylpropanenitrile;penta-1,3-diene
SMILESC[C-](C)C#N.[Co+2].[H]/[C-]=C\C=CC
InChIInChI=1S/C5H7.C4H6N.Co/c1-3-5-4-2;1-4(2)3-5;/h1,3-5H,2H3;1-2H3;/q2*-1;+2
InChIKeyJPXNDCWZYCQETP-UHFFFAOYSA-N
XLogP2.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 141374787
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CID 174565519
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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-methylpropanenitrile;penta-1,3-diene?
The IUPAC name of cobalt(2+);2-methylpropanenitrile;penta-1,3-diene (CID 150721318) is cobalt(2+);2-methylpropanenitrile;penta-1,3-diene.
What is the SMILES notation for cobalt(2+);2-methylpropanenitrile;penta-1,3-diene?
The canonical SMILES for cobalt(2+);2-methylpropanenitrile;penta-1,3-diene is C[C-](C)C#N.[Co+2].[H]/[C-]=C\C=CC.
What is the InChIKey of cobalt(2+);2-methylpropanenitrile;penta-1,3-diene?
The InChIKey is JPXNDCWZYCQETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7.C4H6N.Co/c1-3-5-4-2;1-4(2)3-5;/h1,3-5H,2H3;1-2H3;/q2*-1;+2.
What are the key properties of cobalt(2+);2-methylpropanenitrile;penta-1,3-diene?
cobalt(2+);2-methylpropanenitrile;penta-1,3-diene has a molecular weight of 194.14 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2-methylpropanenitrile;penta-1,3-diene is sourced from PubChem (CID 150721318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).