6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde

C7H6N2O2 — CID 56986559

IUPAC6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde
SMILES[N-]=[N+]=C1CC=CC(=O)C1C=O
InChIInChI=1S/C7H6N2O2/c8-9-6-2-1-3-7(11)5(6)4-10/h1,3-5H,2H2
InChIKeyFIKYXAKHYNPSKO-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.00
Rot. Bonds1

About 6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde

6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde (PubChem CID 56986559) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde
PubChem CID56986559
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde
SMILES[N-]=[N+]=C1CC=CC(=O)C1C=O
InChIInChI=1S/C7H6N2O2/c8-9-6-2-1-3-7(11)5(6)4-10/h1,3-5H,2H2
InChIKeyFIKYXAKHYNPSKO-UHFFFAOYSA-N
XLogP0.00
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Diazo-5-methylcyclohex-2-en-1-one
CID 135085473
6-Diazo-4-methylcyclohex-2-en-1-one
CID 22892422

Frequently Asked Questions

What is the IUPAC name of 6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde (CID 56986559) is 6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde is [N-]=[N+]=C1CC=CC(=O)C1C=O.
What is the InChIKey of 6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde?
The InChIKey is FIKYXAKHYNPSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c8-9-6-2-1-3-7(11)5(6)4-10/h1,3-5H,2H2.
What are the key properties of 6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde?
6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde has a molecular weight of 150.14 g/mol, XLogP of 0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-2-oxocyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 56986559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).