6-diazo-5-methylcyclohex-2-en-1-one

C7H8N2O — CID 135085473

IUPAC6-diazo-5-methylcyclohex-2-en-1-one
SMILESCC1CC=CC(=O)C1=[N+]=[N-]
InChIInChI=1S/C7H8N2O/c1-5-3-2-4-6(10)7(5)9-8/h2,4-5H,3H2,1H3
InChIKeyAQCUVNVVYWCQRA-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.82
Rot. Bonds

About 6-diazo-5-methylcyclohex-2-en-1-one

6-diazo-5-methylcyclohex-2-en-1-one (PubChem CID 135085473) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 6-diazo-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-diazo-5-methylcyclohex-2-en-1-one
PubChem CID135085473
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name6-diazo-5-methylcyclohex-2-en-1-one
SMILESCC1CC=CC(=O)C1=[N+]=[N-]
InChIInChI=1S/C7H8N2O/c1-5-3-2-4-6(10)7(5)9-8/h2,4-5H,3H2,1H3
InChIKeyAQCUVNVVYWCQRA-UHFFFAOYSA-N
XLogP0.82
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-Diazocyclohex-2-en-1-one
CID 53964219
6-Diazo-2-methyl-2-cyclohexen-1-one
CID 11535568
6-Diazo-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 102189710
6-Diazo-4-methylcyclohex-2-en-1-one
CID 22892422
6-Diazo-2-oxocyclohex-3-ene-1-carbaldehyde
CID 56986559
4a,5-dihydro-4H-cinnolin-8-one
CID 57294843
6-Diazocyclohex-3-ene-1,2-dione
CID 88520103
6-Imino-4-methylcyclohex-2-en-1-one
CID 141973081
8-Diazo-4,9a-dihydroanthracen-1-one
CID 173105872
1-(6-Diazocyclohexa-2,4-dien-1-yl)propan-1-one
CID 175712731
1-[(6Z)-6-diazo-5-methylcyclohexa-2,4-dien-1-yl]ethanone
CID 21160677
6-Diazo-4,4-dimethylcyclohex-2-en-1-one
CID 102090110

Frequently Asked Questions

What is the IUPAC name of 6-diazo-5-methylcyclohex-2-en-1-one?
The IUPAC name of 6-diazo-5-methylcyclohex-2-en-1-one (CID 135085473) is 6-diazo-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for 6-diazo-5-methylcyclohex-2-en-1-one?
The canonical SMILES for 6-diazo-5-methylcyclohex-2-en-1-one is CC1CC=CC(=O)C1=[N+]=[N-].
What is the InChIKey of 6-diazo-5-methylcyclohex-2-en-1-one?
The InChIKey is AQCUVNVVYWCQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-5-3-2-4-6(10)7(5)9-8/h2,4-5H,3H2,1H3.
What are the key properties of 6-diazo-5-methylcyclohex-2-en-1-one?
6-diazo-5-methylcyclohex-2-en-1-one has a molecular weight of 136.15 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 135085473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).