zinc;but-2-enenitrile;bromide

C4H4BrNZn — CID 173118440

IUPACzinc;but-2-enenitrile;bromide
SMILES[Br-].[CH2-]C=CC#N.[Zn+2]
InChIInChI=1S/C4H4N.BrH.Zn/c1-2-3-4-5;;/h2-3H,1H2;1H;/q-1;;+2/p-1
InChIKeyNFXKBXYHSFPCKO-UHFFFAOYSA-M
MW211.38 g/mol
LogP-2.10
Rot. Bonds

About zinc;but-2-enenitrile;bromide

zinc;but-2-enenitrile;bromide (PubChem CID 173118440) has the molecular formula C4H4BrNZn and a molecular weight of 211.38 g/mol. Its IUPAC name is zinc;but-2-enenitrile;bromide.

Molecular Properties

Compound Namezinc;but-2-enenitrile;bromide
PubChem CID173118440
Molecular FormulaC4H4BrNZn
Molecular Weight211.38 g/mol
Exact Mass208.88
IUPAC Namezinc;but-2-enenitrile;bromide
SMILES[Br-].[CH2-]C=CC#N.[Zn+2]
InChIInChI=1S/C4H4N.BrH.Zn/c1-2-3-4-5;;/h2-3H,1H2;1H;/q-1;;+2/p-1
InChIKeyNFXKBXYHSFPCKO-UHFFFAOYSA-M
XLogP-2.10
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.38
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;but-2-enenitrile;bromide?
The IUPAC name of zinc;but-2-enenitrile;bromide (CID 173118440) is zinc;but-2-enenitrile;bromide.
What is the SMILES notation for zinc;but-2-enenitrile;bromide?
The canonical SMILES for zinc;but-2-enenitrile;bromide is [Br-].[CH2-]C=CC#N.[Zn+2].
What is the InChIKey of zinc;but-2-enenitrile;bromide?
The InChIKey is NFXKBXYHSFPCKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N.BrH.Zn/c1-2-3-4-5;;/h2-3H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of zinc;but-2-enenitrile;bromide?
zinc;but-2-enenitrile;bromide has a molecular weight of 211.38 g/mol, XLogP of -2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;but-2-enenitrile;bromide is sourced from PubChem (CID 173118440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).