4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium

C8H8NOY- — CID 59189396

IUPAC4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium
SMILES[H]/N=C1/[C-]=C(C)C(=O)C(C)=C1.[Y]
InChIInChI=1S/C8H8NO.Y/c1-5-3-7(9)4-6(2)8(5)10;/h3,9H,1-2H3;/q-1;/b9-7+;
InChIKeyFTKGUZFNUKTTNX-BXTVWIJMSA-N
MW223.06 g/mol
LogP1.28
Rot. Bonds

About 4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium

4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium (PubChem CID 59189396) has the molecular formula C8H8NOY- and a molecular weight of 223.06 g/mol. Its IUPAC name is 4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium.

Molecular Properties

Compound Name4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium
PubChem CID59189396
Molecular FormulaC8H8NOY-
Molecular Weight223.06 g/mol
Exact Mass222.97
IUPAC Name4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium
SMILES[H]/N=C1/[C-]=C(C)C(=O)C(C)=C1.[Y]
InChIInChI=1S/C8H8NO.Y/c1-5-3-7(9)4-6(2)8(5)10;/h3,9H,1-2H3;/q-1;/b9-7+;
InChIKeyFTKGUZFNUKTTNX-BXTVWIJMSA-N
XLogP1.28
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 51.28
H-Bond Donors ≤ 51
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

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
Methylbenzoquinone monoimine
CID 20516795
Acetyl-p-benzoquinone imine
CID 57237125
2-Ethyl-benzoquinone imine
CID 132277171
(E)-6-fluoro-4-imino-3-methylideneoct-5-en-2-one
CID 123392429
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)urea
CID 129757285
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
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

Frequently Asked Questions

What is the IUPAC name of 4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium?
The IUPAC name of 4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium (CID 59189396) is 4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium.
What is the SMILES notation for 4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium?
The canonical SMILES for 4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium is [H]/N=C1/[C-]=C(C)C(=O)C(C)=C1.[Y].
What is the InChIKey of 4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium?
The InChIKey is FTKGUZFNUKTTNX-BXTVWIJMSA-N. The full InChI is InChI=1S/C8H8NO.Y/c1-5-3-7(9)4-6(2)8(5)10;/h3,9H,1-2H3;/q-1;/b9-7+;.
What are the key properties of 4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium?
4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium has a molecular weight of 223.06 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2,6-dimethylcyclohexa-2,5-dien-1-one;yttrium is sourced from PubChem (CID 59189396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).