copper(1+);4H-imidazole;prop-1-ene

C6H9CuN2 — CID 88618228

IUPACcopper(1+);4H-imidazole;prop-1-ene
SMILESC1=NC=NC1.C=C[CH2-].[Cu+]
InChIInChI=1S/C3H4N2.C3H5.Cu/c1-2-5-3-4-1;1-3-2;/h1,3H,2H2;3H,1-2H2;/q;-1;+1
InChIKeyFIAUDLJXFGGFAF-UHFFFAOYSA-N
MW172.70 g/mol
LogP1.10
Rot. Bonds

About copper(1+);4H-imidazole;prop-1-ene

copper(1+);4H-imidazole;prop-1-ene (PubChem CID 88618228) has the molecular formula C6H9CuN2 and a molecular weight of 172.70 g/mol. Its IUPAC name is copper(1+);4H-imidazole;prop-1-ene.

Molecular Properties

Compound Namecopper(1+);4H-imidazole;prop-1-ene
PubChem CID88618228
Molecular FormulaC6H9CuN2
Molecular Weight172.70 g/mol
Exact Mass172.01
IUPAC Namecopper(1+);4H-imidazole;prop-1-ene
SMILESC1=NC=NC1.C=C[CH2-].[Cu+]
InChIInChI=1S/C3H4N2.C3H5.Cu/c1-2-5-3-4-1;1-3-2;/h1,3H,2H2;3H,1-2H2;/q;-1;+1
InChIKeyFIAUDLJXFGGFAF-UHFFFAOYSA-N
XLogP1.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze copper(1+);4H-imidazole;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper(1+);4H-imidazole;prop-1-ene?
The IUPAC name of copper(1+);4H-imidazole;prop-1-ene (CID 88618228) is copper(1+);4H-imidazole;prop-1-ene.
What is the SMILES notation for copper(1+);4H-imidazole;prop-1-ene?
The canonical SMILES for copper(1+);4H-imidazole;prop-1-ene is C1=NC=NC1.C=C[CH2-].[Cu+].
What is the InChIKey of copper(1+);4H-imidazole;prop-1-ene?
The InChIKey is FIAUDLJXFGGFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H5.Cu/c1-2-5-3-4-1;1-3-2;/h1,3H,2H2;3H,1-2H2;/q;-1;+1.
What are the key properties of copper(1+);4H-imidazole;prop-1-ene?
copper(1+);4H-imidazole;prop-1-ene has a molecular weight of 172.70 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);4H-imidazole;prop-1-ene is sourced from PubChem (CID 88618228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).