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

C7H6NiO2+2 — CID 23036585

IUPAC2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+)
SMILESO=c1cccccc1O.[Ni+2]
InChIInChI=1S/C7H6O2.Ni/c8-6-4-2-1-3-5-7(6)9;/h1-5H,(H,8,9);/q;+2
InChIKeyWNEKPNLCGKUQAK-UHFFFAOYSA-N
MW180.82 g/mol
LogP0.75
Rot. Bonds

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

2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+) (PubChem CID 23036585) has the molecular formula C7H6NiO2+2 and a molecular weight of 180.82 g/mol. Its IUPAC name is 2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+).

Molecular Properties

Compound Name2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+)
PubChem CID23036585
Molecular FormulaC7H6NiO2+2
Molecular Weight180.82 g/mol
Exact Mass179.97
IUPAC Name2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+)
SMILESO=c1cccccc1O.[Ni+2]
InChIInChI=1S/C7H6O2.Ni/c8-6-4-2-1-3-5-7(6)9;/h1-5H,(H,8,9);/q;+2
InChIKeyWNEKPNLCGKUQAK-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 ≤ 500180.82
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 2-hydroxycyclohepta-2,4,6-trien-1-one
CID 23036587
calcium;hydride;2-hydroxycyclohepta-2,4,6-trien-1-one
CID 173366616
ethene;2-hydroxycyclohepta-2,4,6-trien-1-one
CID 88801051
cyclohepta-4,6-diene-1,2,3-trione;2-hydroxycyclohepta-2,4,6-trien-1-one
CID 159253818
dicopper;2-hydroxycyclohepta-2,4,6-trien-1-one;disulfate
CID 173011128
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
benzene-1,2-diol;hydrogen peroxide
CID 22924348
2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one
CID 11019840
3-hydroxy-2-methylcyclohepta-2,4,6-trien-1-one
CID 123525175
6-benzyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 122636028
3-hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
CID 2755139
CID 174327520
CID 174327520

Frequently Asked Questions

What is the IUPAC name of 2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+)?
The IUPAC name of 2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+) (CID 23036585) is 2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+).
What is the SMILES notation for 2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+)?
The canonical SMILES for 2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+) is O=c1cccccc1O.[Ni+2].
What is the InChIKey of 2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+)?
The InChIKey is WNEKPNLCGKUQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.Ni/c8-6-4-2-1-3-5-7(6)9;/h1-5H,(H,8,9);/q;+2.
What are the key properties of 2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+)?
2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+) has a molecular weight of 180.82 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 2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+) is sourced from PubChem (CID 23036585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).