6-diazo-3,5-dimethylcyclohex-2-en-1-one

C8H10N2O — CID 102090112

IUPAC6-diazo-3,5-dimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)C(=[N+]=[N-])C(C)C1
InChIInChI=1S/C8H10N2O/c1-5-3-6(2)8(10-9)7(11)4-5/h4,6H,3H2,1-2H3
InChIKeyUNMCUYYOXVMUQK-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.21
Rot. Bonds

About 6-diazo-3,5-dimethylcyclohex-2-en-1-one

6-diazo-3,5-dimethylcyclohex-2-en-1-one (PubChem CID 102090112) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 6-diazo-3,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-diazo-3,5-dimethylcyclohex-2-en-1-one
PubChem CID102090112
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name6-diazo-3,5-dimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)C(=[N+]=[N-])C(C)C1
InChIInChI=1S/C8H10N2O/c1-5-3-6(2)8(10-9)7(11)4-5/h4,6H,3H2,1-2H3
InChIKeyUNMCUYYOXVMUQK-UHFFFAOYSA-N
XLogP1.21
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.21
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-Diazo-3-methylcyclohex-2-en-1-one
CID 122387370
3,5-Dimethyl-1,4-benzoquinonimine
CID 129743105
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
4-Diazo-3-methyl-4a,8a-dihydronaphthalen-1-one
CID 134986621
6-Diazo-5-methylcyclohex-2-en-1-one
CID 135085473
(5S)-7-diazo-4-methylbicyclo[3.2.1]oct-3-en-6-one
CID 162414733
4-Imino-2,6-dimethylcyclohex-2-en-1-one
CID 178244250
6-Diazo-4-methylcyclohex-2-en-1-one
CID 22892422
4,6-Diimino-3,5-dimethylcyclohex-2-en-1-one
CID 57207871
2-Diazo-4-ethylcyclohex-3-en-1-one
CID 58241638
2-Diazo-3,5,6,7,8,8a-hexahydronaphthalen-1-one
CID 59968537

Frequently Asked Questions

What is the IUPAC name of 6-diazo-3,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 6-diazo-3,5-dimethylcyclohex-2-en-1-one (CID 102090112) is 6-diazo-3,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 6-diazo-3,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 6-diazo-3,5-dimethylcyclohex-2-en-1-one is CC1=CC(=O)C(=[N+]=[N-])C(C)C1.
What is the InChIKey of 6-diazo-3,5-dimethylcyclohex-2-en-1-one?
The InChIKey is UNMCUYYOXVMUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-3-6(2)8(10-9)7(11)4-5/h4,6H,3H2,1-2H3.
What are the key properties of 6-diazo-3,5-dimethylcyclohex-2-en-1-one?
6-diazo-3,5-dimethylcyclohex-2-en-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-3,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 102090112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).