copper;1,2-dihydroimidazol-2-ide;prop-1-ene

C6H8CuN2 — CID 88618229

IUPACcopper;1,2-dihydroimidazol-2-ide;prop-1-ene
SMILESC=C[CH2-].[Cu+2].[c-]1ncc[nH]1
InChIInChI=1S/C3H3N2.C3H5.Cu/c1-2-5-3-4-1;1-3-2;/h1-2H,(H,4,5);3H,1-2H2;/q2*-1;+2
InChIKeyRZBINVJYDJDDOH-UHFFFAOYSA-N
MW171.69 g/mol
LogP1.21
Rot. Bonds

About copper;1,2-dihydroimidazol-2-ide;prop-1-ene

copper;1,2-dihydroimidazol-2-ide;prop-1-ene (PubChem CID 88618229) has the molecular formula C6H8CuN2 and a molecular weight of 171.69 g/mol. Its IUPAC name is copper;1,2-dihydroimidazol-2-ide;prop-1-ene.

Molecular Properties

Compound Namecopper;1,2-dihydroimidazol-2-ide;prop-1-ene
PubChem CID88618229
Molecular FormulaC6H8CuN2
Molecular Weight171.69 g/mol
Exact Mass171.00
IUPAC Namecopper;1,2-dihydroimidazol-2-ide;prop-1-ene
SMILESC=C[CH2-].[Cu+2].[c-]1ncc[nH]1
InChIInChI=1S/C3H3N2.C3H5.Cu/c1-2-5-3-4-1;1-3-2;/h1-2H,(H,4,5);3H,1-2H2;/q2*-1;+2
InChIKeyRZBINVJYDJDDOH-UHFFFAOYSA-N
XLogP1.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.69
LogP ≤ 51.21
H-Bond Donors ≤ 51
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 copper;1,2-dihydroimidazol-2-ide;prop-1-ene?
The IUPAC name of copper;1,2-dihydroimidazol-2-ide;prop-1-ene (CID 88618229) is copper;1,2-dihydroimidazol-2-ide;prop-1-ene.
What is the SMILES notation for copper;1,2-dihydroimidazol-2-ide;prop-1-ene?
The canonical SMILES for copper;1,2-dihydroimidazol-2-ide;prop-1-ene is C=C[CH2-].[Cu+2].[c-]1ncc[nH]1.
What is the InChIKey of copper;1,2-dihydroimidazol-2-ide;prop-1-ene?
The InChIKey is RZBINVJYDJDDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2.C3H5.Cu/c1-2-5-3-4-1;1-3-2;/h1-2H,(H,4,5);3H,1-2H2;/q2*-1;+2.
What are the key properties of copper;1,2-dihydroimidazol-2-ide;prop-1-ene?
copper;1,2-dihydroimidazol-2-ide;prop-1-ene has a molecular weight of 171.69 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,2-dihydroimidazol-2-ide;prop-1-ene is sourced from PubChem (CID 88618229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).