benzonitrile;zinc

C7H4NZn- — CID 87355102

IUPACbenzonitrile;zinc
SMILESN#Cc1cc[c-]cc1.[Zn]
InChIInChI=1S/C7H4N.Zn/c8-6-7-4-2-1-3-5-7;/h2-5H;/q-1;
InChIKeyZXAPCAFGVKURFV-UHFFFAOYSA-N
MW167.51 g/mol
LogP1.36
Rot. Bonds

About benzonitrile;zinc

benzonitrile;zinc (PubChem CID 87355102) has the molecular formula C7H4NZn- and a molecular weight of 167.51 g/mol. Its IUPAC name is benzonitrile;zinc.

Molecular Properties

Compound Namebenzonitrile;zinc
PubChem CID87355102
Molecular FormulaC7H4NZn-
Molecular Weight167.51 g/mol
Exact Mass165.96
IUPAC Namebenzonitrile;zinc
SMILESN#Cc1cc[c-]cc1.[Zn]
InChIInChI=1S/C7H4N.Zn/c8-6-7-4-2-1-3-5-7;/h2-5H;/q-1;
InChIKeyZXAPCAFGVKURFV-UHFFFAOYSA-N
XLogP1.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.51
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzonitrile;zinc?
The IUPAC name of benzonitrile;zinc (CID 87355102) is benzonitrile;zinc.
What is the SMILES notation for benzonitrile;zinc?
The canonical SMILES for benzonitrile;zinc is N#Cc1cc[c-]cc1.[Zn].
What is the InChIKey of benzonitrile;zinc?
The InChIKey is ZXAPCAFGVKURFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N.Zn/c8-6-7-4-2-1-3-5-7;/h2-5H;/q-1;.
What are the key properties of benzonitrile;zinc?
benzonitrile;zinc has a molecular weight of 167.51 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;zinc is sourced from PubChem (CID 87355102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).