4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one

C10H13NO — CID 130029498

IUPAC4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one
SMILES[H]N=C1C(C)=C(C)C(=O)C(C)=C1C
InChIInChI=1S/C10H13NO/c1-5-7(3)10(12)8(4)6(2)9(5)11/h11H,1-4H3
InChIKeyHGDCJYHRXODFCZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.26
Rot. Bonds

About 4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one

4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one (PubChem CID 130029498) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one
PubChem CID130029498
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one
SMILES[H]N=C1C(C)=C(C)C(=O)C(C)=C1C
InChIInChI=1S/C10H13NO/c1-5-7(3)10(12)8(4)6(2)9(5)11/h11H,1-4H3
InChIKeyHGDCJYHRXODFCZ-UHFFFAOYSA-N
XLogP2.26
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Diethylquinoneimine
CID 150565
2,5-Cyclohexadien-1-one, 3,5-dimethyl-4-imino-
CID 3076715
4-Imino-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 20496336
2-Ethyl-benzoquinone imine
CID 132277171
6-Imino-2,3,4,5-tetramethylcyclohexa-2,4-dien-1-one
CID 139249931
(2,3,5,6-Tetramethyl-4-oxocyclohexa-2,5-dien-1-ylidene)azanide
CID 139249932
(2,3,4,5-Tetramethyl-6-oxocyclohexa-2,4-dien-1-ylidene)azanide
CID 139249935
3-Ethyl-4-imino-5-methyl-2,5-cyclohexadien-1-one
CID 3075771
4-Imino-2,5-dimethylcyclohexa-2,5-dien-1-one
CID 20292609
4-Imino-2,3-dimethylcyclohexa-2,5-dien-1-one
CID 20516822
2,3,5,6-Tetramethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 22979279
2,3-Diethyl-4-iminocyclohexa-2,5-dien-1-one
CID 54009764

Frequently Asked Questions

What is the IUPAC name of 4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one?
The IUPAC name of 4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one (CID 130029498) is 4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one is [H]N=C1C(C)=C(C)C(=O)C(C)=C1C.
What is the InChIKey of 4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one?
The InChIKey is HGDCJYHRXODFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-5-7(3)10(12)8(4)6(2)9(5)11/h11H,1-4H3.
What are the key properties of 4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one?
4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one has a molecular weight of 163.22 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 130029498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).