2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one

C19H16N2O — CID 20683540

IUPAC2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one
SMILESCC1=CC(=C/N=N/c2cccc3ccccc23)C=C(C)C1=O
InChIInChI=1S/C19H16N2O/c1-13-10-15(11-14(2)19(13)22)12-20-21-18-9-5-7-16-6-3-4-8-17(16)18/h3-12H,1-2H3/b21-20+
InChIKeyOKDXKPAXCRUVGV-QZQOTICOSA-N
MW288.35 g/mol
LogP5.28
Rot. Bonds2

About 2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one

2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one (PubChem CID 20683540) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one
PubChem CID20683540
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one
SMILESCC1=CC(=C/N=N/c2cccc3ccccc23)C=C(C)C1=O
InChIInChI=1S/C19H16N2O/c1-13-10-15(11-14(2)19(13)22)12-20-21-18-9-5-7-16-6-3-4-8-17(16)18/h3-12H,1-2H3/b21-20+
InChIKeyOKDXKPAXCRUVGV-QZQOTICOSA-N
XLogP5.28
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-1-yliminomethanesulfonamide
CID 166448164
CID 175078571
CID 175078571
1-(2,6-dimethylphenyl)-N-naphthalen-1-ylmethanimine
CID 71530075
(4-methylphenyl)-naphthalen-1-yldiazene
CID 20700715
methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene
CID 21337324
3-methyl-5-(naphthalen-1-yldiazenyl)-4-sulfanyl-1,3-thiazol-2-one
CID 165111919
4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 18737433
3-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid
CID 87303681
(2-bromophenyl)-naphthalen-1-yldiazene
CID 581691
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
(NE)-6-methyl-N-(naphthalen-1-ylmethylidene)pyridine-2-sulfonamide
CID 135078728
2-tert-butyl-6-methyl-4-[[(2,3,4,5,6-pentafluorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 59945010

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one (CID 20683540) is 2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one is CC1=CC(=C/N=N/c2cccc3ccccc23)C=C(C)C1=O.
What is the InChIKey of 2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is OKDXKPAXCRUVGV-QZQOTICOSA-N. The full InChI is InChI=1S/C19H16N2O/c1-13-10-15(11-14(2)19(13)22)12-20-21-18-9-5-7-16-6-3-4-8-17(16)18/h3-12H,1-2H3/b21-20+.
What are the key properties of 2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one?
2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 288.35 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(naphthalen-1-yldiazenyl)methylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 20683540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).