copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one

C7H6CuO2+ — CID 23498357

IUPACcopper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESO=c1cccccc1O.[Cu+]
InChIInChI=1S/C7H6O2.Cu/c8-6-4-2-1-3-5-7(6)9;/h1-5H,(H,8,9);/q;+1
InChIKeyCKOAIWRFNKDURQ-UHFFFAOYSA-N
MW185.67 g/mol
LogP0.75
Rot. Bonds

About copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one

copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one (PubChem CID 23498357) has the molecular formula C7H6CuO2+ and a molecular weight of 185.67 g/mol. Its IUPAC name is copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Namecopper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one
PubChem CID23498357
Molecular FormulaC7H6CuO2+
Molecular Weight185.67 g/mol
Exact Mass184.97
IUPAC Namecopper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESO=c1cccccc1O.[Cu+]
InChIInChI=1S/C7H6O2.Cu/c8-6-4-2-1-3-5-7(6)9;/h1-5H,(H,8,9);/q;+1
InChIKeyCKOAIWRFNKDURQ-UHFFFAOYSA-N
XLogP0.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.67
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one (CID 23498357) is copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one is O=c1cccccc1O.[Cu+].
What is the InChIKey of copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one?
The InChIKey is CKOAIWRFNKDURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.Cu/c8-6-4-2-1-3-5-7(6)9;/h1-5H,(H,8,9);/q;+1.
What are the key properties of copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one?
copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one has a molecular weight of 185.67 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-hydroxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 23498357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).