2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione

C13H10Cl2N2O2 — CID 129144824

IUPAC2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione
SMILESO=C1CCCC(=O)C1=C/N=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c14-8-4-5-11(10(15)6-8)17-16-7-9-12(18)2-1-3-13(9)19/h4-7H,1-3H2/b17-16+
InChIKeyCUXONAHJZXLZSY-WUKNDPDISA-N
MW297.14 g/mol
LogP4.28
Rot. Bonds2

About 2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione

2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione (PubChem CID 129144824) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione.

Molecular Properties

Compound Name2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione
PubChem CID129144824
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione
SMILESO=C1CCCC(=O)C1=C/N=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N2O2/c14-8-4-5-11(10(15)6-8)17-16-7-9-12(18)2-1-3-13(9)19/h4-7H,1-3H2/b17-16+
InChIKeyCUXONAHJZXLZSY-WUKNDPDISA-N
XLogP4.28
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione?
The IUPAC name of 2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione (CID 129144824) is 2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione.
What is the SMILES notation for 2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione?
The canonical SMILES for 2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione is O=C1CCCC(=O)C1=C/N=N/c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione?
The InChIKey is CUXONAHJZXLZSY-WUKNDPDISA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-8-4-5-11(10(15)6-8)17-16-7-9-12(18)2-1-3-13(9)19/h4-7H,1-3H2/b17-16+.
What are the key properties of 2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione?
2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione has a molecular weight of 297.14 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dichlorophenyl)diazenyl]methylidene]cyclohexane-1,3-dione is sourced from PubChem (CID 129144824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).