5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione

C6H2Cl2N2O2 — CID 68577597

IUPAC5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione
SMILESO=c1ccc(=O)c(=NCl)c1=NCl
InChIInChI=1S/C6H2Cl2N2O2/c7-9-5-3(11)1-2-4(12)6(5)10-8/h1-2H
InChIKeyVXEOHLSOPRDPPR-UHFFFAOYSA-N
MW205.00 g/mol
LogP-0.61
Rot. Bonds

About 5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione

5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione (PubChem CID 68577597) has the molecular formula C6H2Cl2N2O2 and a molecular weight of 205.00 g/mol. Its IUPAC name is 5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione
PubChem CID68577597
Molecular FormulaC6H2Cl2N2O2
Molecular Weight205.00 g/mol
Exact Mass203.95
IUPAC Name5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione
SMILESO=c1ccc(=O)c(=NCl)c1=NCl
InChIInChI=1S/C6H2Cl2N2O2/c7-9-5-3(11)1-2-4(12)6(5)10-8/h1-2H
InChIKeyVXEOHLSOPRDPPR-UHFFFAOYSA-N
XLogP-0.61
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.00
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione?
The IUPAC name of 5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione (CID 68577597) is 5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione.
What is the SMILES notation for 5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione?
The canonical SMILES for 5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione is O=c1ccc(=O)c(=NCl)c1=NCl.
What is the InChIKey of 5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione?
The InChIKey is VXEOHLSOPRDPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2O2/c7-9-5-3(11)1-2-4(12)6(5)10-8/h1-2H.
What are the key properties of 5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione?
5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione has a molecular weight of 205.00 g/mol, XLogP of -0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(chloroimino)cyclohex-2-ene-1,4-dione is sourced from PubChem (CID 68577597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).