2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium

C9H10NOY- — CID 58194049

IUPAC2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium
SMILESC/N=C1/[C-]=C(C)C(=O)C(C)=C1.[Y]
InChIInChI=1S/C9H10NO.Y/c1-6-4-8(10-3)5-7(2)9(6)11;/h4H,1-3H3;/q-1;/b10-8+;
InChIKeyGRWHAVHHXDMEBD-VRTOBVRTSA-N
MW237.09 g/mol
LogP1.33
Rot. Bonds

About 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium

2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium (PubChem CID 58194049) has the molecular formula C9H10NOY- and a molecular weight of 237.09 g/mol. Its IUPAC name is 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium.

Molecular Properties

Compound Name2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium
PubChem CID58194049
Molecular FormulaC9H10NOY-
Molecular Weight237.09 g/mol
Exact Mass236.98
IUPAC Name2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium
SMILESC/N=C1/[C-]=C(C)C(=O)C(C)=C1.[Y]
InChIInChI=1S/C9H10NO.Y/c1-6-4-8(10-3)5-7(2)9(6)11;/h4H,1-3H3;/q-1;/b10-8+;
InChIKeyGRWHAVHHXDMEBD-VRTOBVRTSA-N
XLogP1.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6,6-Tetramethyl-3(6H)-pyridinone
CID 21775038
N-Acetyl-3,5-dimethyl-4-benzoquinone imine
CID 126483
N-(3-Methyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
CID 18338381
4-Imino-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 20496336
(E)-7,7,7-trifluoro-4-methyl-6-methyliminohept-4-en-3-one
CID 155280906
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)urea
CID 129757285
(E)-8,8,8-trifluoro-5-methyl-7-methyliminooct-5-en-4-one
CID 155718417
4-Chloroimino-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 21507468
2,3,5,6-Tetramethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 22979279
2,3,6-Trimethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 57553800
4,6-dimethyl-2H-pyridin-3-one
CID 58181117
4-Imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium
CID 59189396

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium?
The IUPAC name of 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium (CID 58194049) is 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium.
What is the SMILES notation for 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium?
The canonical SMILES for 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium is C/N=C1/[C-]=C(C)C(=O)C(C)=C1.[Y].
What is the InChIKey of 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium?
The InChIKey is GRWHAVHHXDMEBD-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H10NO.Y/c1-6-4-8(10-3)5-7(2)9(6)11;/h4H,1-3H3;/q-1;/b10-8+;.
What are the key properties of 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium?
2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium has a molecular weight of 237.09 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-methyliminocyclohexa-2,5-dien-1-one;yttrium is sourced from PubChem (CID 58194049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).