1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)

C8H8NOY+2 — CID 54711351

IUPAC1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)
SMILESCC(=O)c1c[c-]ccc1N.[Y+3]
InChIInChI=1S/C8H8NO.Y/c1-6(10)7-4-2-3-5-8(7)9;/h3-5H,9H2,1H3;/q-1;+3
InChIKeyAUUHOPWZPJMZQF-UHFFFAOYSA-N
MW223.06 g/mol
LogP1.27
Rot. Bonds1

About 1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)

1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+) (PubChem CID 54711351) has the molecular formula C8H8NOY+2 and a molecular weight of 223.06 g/mol. Its IUPAC name is 1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+).

Molecular Properties

Compound Name1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)
PubChem CID54711351
Molecular FormulaC8H8NOY+2
Molecular Weight223.06 g/mol
Exact Mass222.97
IUPAC Name1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)
SMILESCC(=O)c1c[c-]ccc1N.[Y+3]
InChIInChI=1S/C8H8NO.Y/c1-6(10)7-4-2-3-5-8(7)9;/h3-5H,9H2,1H3;/q-1;+3
InChIKeyAUUHOPWZPJMZQF-UHFFFAOYSA-N
XLogP1.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium
CID 58533651
carbanide;ethane;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium
CID 158450240
1-(2-amino-5-tert-butylphenyl)ethanone
CID 83988010
1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone
CID 134604009
1-phenylethanone;tungsten
CID 58914497
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium
CID 58694735
zinc;1-phenylethanone;chloride
CID 159964610
1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone
CID 104528323
1-(2-aminophenyl)ethanone;3,3-dimethylbutan-1-amine;ethane
CID 178163170
N-(2-aminobenzene-4-id-1-yl)-2,3,4,5,6-pentamethylbenzamide;tungsten
CID 148785469
1-(2-aminophenyl)ethanone;pyridine-4-carboxylic acid
CID 70522461

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)?
The IUPAC name of 1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+) (CID 54711351) is 1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+).
What is the SMILES notation for 1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)?
The canonical SMILES for 1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+) is CC(=O)c1c[c-]ccc1N.[Y+3].
What is the InChIKey of 1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)?
The InChIKey is AUUHOPWZPJMZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO.Y/c1-6(10)7-4-2-3-5-8(7)9;/h3-5H,9H2,1H3;/q-1;+3.
What are the key properties of 1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)?
1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+) has a molecular weight of 223.06 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+) is sourced from PubChem (CID 54711351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).