4,6-diimino-3,5-dimethylcyclohex-2-en-1-one

C8H10N2O — CID 57207871

IUPAC4,6-diimino-3,5-dimethylcyclohex-2-en-1-one
SMILES[H]/N=C1\C(=O)C=C(C)/C(=N\[H])C1C
InChIInChI=1S/C8H10N2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,5,9-10H,1-2H3/b9-7+,10-8-
InChIKeyZJFDRGIMLKAPJN-ZWOQCJTASA-N
MW150.18 g/mol
LogP1.19
Rot. Bonds

About 4,6-diimino-3,5-dimethylcyclohex-2-en-1-one

4,6-diimino-3,5-dimethylcyclohex-2-en-1-one (PubChem CID 57207871) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 4,6-diimino-3,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,6-diimino-3,5-dimethylcyclohex-2-en-1-one
PubChem CID57207871
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name4,6-diimino-3,5-dimethylcyclohex-2-en-1-one
SMILES[H]/N=C1\C(=O)C=C(C)/C(=N\[H])C1C
InChIInChI=1S/C8H10N2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,5,9-10H,1-2H3/b9-7+,10-8-
InChIKeyZJFDRGIMLKAPJN-ZWOQCJTASA-N
XLogP1.19
TPSA64.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethyl-1,4-benzoquinonimine
CID 129743105
Diethylbenzoquinonimine
CID 129850744
5-Methyl-3-(2,2,2-trifluoroethanimidoyl)cyclopent-2-en-1-one
CID 139425202
4-Ethyl-5-methyl-3-(2,2,2-trifluoroethanimidoyl)cyclopent-2-en-1-one
CID 139425204
6-Diazo-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 102189710
2,6-Diisopropyl-4-iminocyclohexa-2,5-dien-1-one
CID 129747366
Ethylmethylbenzoquinoneimine
CID 166174992
4-Imino-2,6-dimethylcyclohex-2-en-1-one
CID 178244250
4,5-Diimino-3-methylcyclohex-2-en-1-one
CID 56990817
4-Iminobicyclo[4.2.0]oct-5-en-7-one
CID 57029178
4,6-Diimino-3-methylcyclohex-2-en-1-one
CID 57285675
1-Cyclohex-3-en-1-yl-1-iminopropan-2-one
CID 89105658

Frequently Asked Questions

What is the IUPAC name of 4,6-diimino-3,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 4,6-diimino-3,5-dimethylcyclohex-2-en-1-one (CID 57207871) is 4,6-diimino-3,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 4,6-diimino-3,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 4,6-diimino-3,5-dimethylcyclohex-2-en-1-one is [H]/N=C1\C(=O)C=C(C)/C(=N\[H])C1C.
What is the InChIKey of 4,6-diimino-3,5-dimethylcyclohex-2-en-1-one?
The InChIKey is ZJFDRGIMLKAPJN-ZWOQCJTASA-N. The full InChI is InChI=1S/C8H10N2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,5,9-10H,1-2H3/b9-7+,10-8-.
What are the key properties of 4,6-diimino-3,5-dimethylcyclohex-2-en-1-one?
4,6-diimino-3,5-dimethylcyclohex-2-en-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diimino-3,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 57207871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).