2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one

C11H15NO — CID 22979278

IUPAC2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one
SMILESC/N=C1\C(=O)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C11H15NO/c1-6-7(2)9(4)11(13)10(12-5)8(6)3/h1-5H3/b12-10-
InChIKeyMMVUJXBWLWQGQD-BENRWUELSA-N
MW177.25 g/mol
LogP2.31
Rot. Bonds

About 2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one

2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one (PubChem CID 22979278) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one
PubChem CID22979278
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one
SMILESC/N=C1\C(=O)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C11H15NO/c1-6-7(2)9(4)11(13)10(12-5)8(6)3/h1-5H3/b12-10-
InChIKeyMMVUJXBWLWQGQD-BENRWUELSA-N
XLogP2.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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
2,3,5,6-Tetramethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 22979279
3-(2-Methyliminocyclohexylidene)butan-2-one
CID 123242686
1-(5-Prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone
CID 123478166
3-(C,N-dimethylcarbonimidoyl)-4-methylpent-3-en-2-one;ethane
CID 143127939
ethane;(5E)-5-ethenyl-2-methyl-3-methyliminohepta-1,5-dien-4-one
CID 143348027
2,3,4,5-Tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one;2,3,5,6-tetramethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 159723682
(Z)-6-methylimino-4-prop-1-en-2-ylhept-4-en-3-one
CID 143098787
3-(C,N-dimethylcarbonimidoyl)-4-methylpent-3-en-2-one
CID 143127776
(5E)-5-ethenyl-2-methyl-3-methyliminohepta-1,5-dien-4-one
CID 143348028

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one?
The IUPAC name of 2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one (CID 22979278) is 2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one is C/N=C1\C(=O)C(C)=C(C)C(C)=C1C.
What is the InChIKey of 2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one?
The InChIKey is MMVUJXBWLWQGQD-BENRWUELSA-N. The full InChI is InChI=1S/C11H15NO/c1-6-7(2)9(4)11(13)10(12-5)8(6)3/h1-5H3/b12-10-.
What are the key properties of 2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one?
2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one is sourced from PubChem (CID 22979278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).