(2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione

C6H4N2O4 — CID 135523675

IUPAC(2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione
SMILESO=c1cc/c(=N/O)c(=O)/c1=N\O
InChIInChI=1S/C6H4N2O4/c9-4-2-1-3(7-11)6(10)5(4)8-12/h1-2,11-12H/b7-3-,8-5-
InChIKeyGRFONTIAJGGAHL-IPXBKODISA-N
MW168.11 g/mol
LogP-2.14
Rot. Bonds

About (2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione

(2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione (PubChem CID 135523675) has the molecular formula C6H4N2O4 and a molecular weight of 168.11 g/mol. Its IUPAC name is (2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione.

Molecular Properties

Compound Name(2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione
PubChem CID135523675
Molecular FormulaC6H4N2O4
Molecular Weight168.11 g/mol
Exact Mass168.02
IUPAC Name(2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione
SMILESO=c1cc/c(=N/O)c(=O)/c1=N\O
InChIInChI=1S/C6H4N2O4/c9-4-2-1-3(7-11)6(10)5(4)8-12/h1-2,11-12H/b7-3-,8-5-
InChIKeyGRFONTIAJGGAHL-IPXBKODISA-N
XLogP-2.14
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

CID 135436540
CID 135436540
2,4-Dinitroso resorcinol
CID 135485325
2,4-Dinitrosobenzene-1,3-diol
CID 135418501
2,6-Didiazocyclohex-4-ene-1,3-dione
CID 12395292
o-Benzoquinonediimine
CID 123944705
5-Cyclohexene-1,2,3,4-tetrone, 1,3-dioxime, sodium salt (1:1)
CID 23695348
2,4-Dinitroso-1,3-benzenediol
CID 136019546
6-Iminocyclohex-4-ene-1,3-dione
CID 91609050
Sodium 2-hydroxyimino-6-oxidoiminocyclohex-4-ene-1,3-dione
CID 73556266
5-Cyclohexene-1,2,3,4-tetrone, 1,3-dioxime, monosodium salt
CID 138395244
Sodium 2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione
CID 139594171
sodium (2Z,6E)-2-hydroxyimino-6-oxidoiminocyclohex-4-ene-1,3-dione
CID 170845029

Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione?
The IUPAC name of (2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione (CID 135523675) is (2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione.
What is the SMILES notation for (2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione?
The canonical SMILES for (2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione is O=c1cc/c(=N/O)c(=O)/c1=N\O.
What is the InChIKey of (2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione?
The InChIKey is GRFONTIAJGGAHL-IPXBKODISA-N. The full InChI is InChI=1S/C6H4N2O4/c9-4-2-1-3(7-11)6(10)5(4)8-12/h1-2,11-12H/b7-3-,8-5-.
What are the key properties of (2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione?
(2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione has a molecular weight of 168.11 g/mol, XLogP of -2.14, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione is sourced from PubChem (CID 135523675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).