benzonitrile;copper(1+)

C7H4CuN — CID 15047744

IUPACbenzonitrile;copper(1+)
SMILESN#Cc1cc[c-]cc1.[Cu+]
InChIInChI=1S/C7H4N.Cu/c8-6-7-4-2-1-3-5-7;/h2-5H;/q-1;+1
InChIKeyDBUQEMDBZYUJPX-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.36
Rot. Bonds

About benzonitrile;copper(1+)

benzonitrile;copper(1+) (PubChem CID 15047744) has the molecular formula C7H4CuN and a molecular weight of 165.66 g/mol. Its IUPAC name is benzonitrile;copper(1+).

Molecular Properties

Compound Namebenzonitrile;copper(1+)
PubChem CID15047744
Molecular FormulaC7H4CuN
Molecular Weight165.66 g/mol
Exact Mass164.96
IUPAC Namebenzonitrile;copper(1+)
SMILESN#Cc1cc[c-]cc1.[Cu+]
InChIInChI=1S/C7H4N.Cu/c8-6-7-4-2-1-3-5-7;/h2-5H;/q-1;+1
InChIKeyDBUQEMDBZYUJPX-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 ≤ 500165.66
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzonitrile;copper(1+)?
The IUPAC name of benzonitrile;copper(1+) (CID 15047744) is benzonitrile;copper(1+).
What is the SMILES notation for benzonitrile;copper(1+)?
The canonical SMILES for benzonitrile;copper(1+) is N#Cc1cc[c-]cc1.[Cu+].
What is the InChIKey of benzonitrile;copper(1+)?
The InChIKey is DBUQEMDBZYUJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N.Cu/c8-6-7-4-2-1-3-5-7;/h2-5H;/q-1;+1.
What are the key properties of benzonitrile;copper(1+)?
benzonitrile;copper(1+) has a molecular weight of 165.66 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;copper(1+) is sourced from PubChem (CID 15047744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).