lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one

C14H23CuILiO2 — CID 159063304

IUPAClithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one
SMILESCC1(C)CCC(=O)C1.CC1=CC(=O)CC1.[CH3-].[Cu]I.[Li+]
InChIInChI=1S/C7H12O.C6H8O.CH3.Cu.HI.Li/c1-7(2)4-3-6(8)5-7;1-5-2-3-6(7)4-5;;;;/h3-5H2,1-2H3;4H,2-3H2,1H3;1H3;;1H;/q;;-1;+1;;+1/p-1
InChIKeyBRAZGJFYDQMNMG-UHFFFAOYSA-M
MW420.73 g/mol
LogP1.40
Rot. Bonds

About lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one

lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one (PubChem CID 159063304) has the molecular formula C14H23CuILiO2 and a molecular weight of 420.73 g/mol. Its IUPAC name is lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Namelithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one
PubChem CID159063304
Molecular FormulaC14H23CuILiO2
Molecular Weight420.73 g/mol
Exact Mass420.02
IUPAC Namelithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one
SMILESCC1(C)CCC(=O)C1.CC1=CC(=O)CC1.[CH3-].[Cu]I.[Li+]
InChIInChI=1S/C7H12O.C6H8O.CH3.Cu.HI.Li/c1-7(2)4-3-6(8)5-7;1-5-2-3-6(7)4-5;;;;/h3-5H2,1-2H3;4H,2-3H2,1H3;1H3;;1H;/q;;-1;+1;;+1/p-1
InChIKeyBRAZGJFYDQMNMG-UHFFFAOYSA-M
XLogP1.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.73
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one 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 lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one?
The IUPAC name of lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one (CID 159063304) is lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one.
What is the SMILES notation for lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one?
The canonical SMILES for lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one is CC1(C)CCC(=O)C1.CC1=CC(=O)CC1.[CH3-].[Cu]I.[Li+].
What is the InChIKey of lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one?
The InChIKey is BRAZGJFYDQMNMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12O.C6H8O.CH3.Cu.HI.Li/c1-7(2)4-3-6(8)5-7;1-5-2-3-6(7)4-5;;;;/h3-5H2,1-2H3;4H,2-3H2,1H3;1H3;;1H;/q;;-1;+1;;+1/p-1.
What are the key properties of lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one?
lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one has a molecular weight of 420.73 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbanide;3,3-dimethylcyclopentan-1-one;iodocopper;3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 159063304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).