carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium

C10H12OY-2 — CID 58533651

IUPACcarbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium
SMILESCC(=O)c1cc[c-]cc1C.[CH3-].[Y]
InChIInChI=1S/C9H9O.CH3.Y/c1-7-5-3-4-6-9(7)8(2)10;;/h4-6H,1-2H3;1H3;/q2*-1;
InChIKeyHVQVCJHOKBRZRD-UHFFFAOYSA-N
MW237.11 g/mol
LogP2.45
Rot. Bonds1

About carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium

carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium (PubChem CID 58533651) has the molecular formula C10H12OY-2 and a molecular weight of 237.11 g/mol. Its IUPAC name is carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium.

Molecular Properties

Compound Namecarbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium
PubChem CID58533651
Molecular FormulaC10H12OY-2
Molecular Weight237.11 g/mol
Exact Mass237.00
IUPAC Namecarbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium
SMILESCC(=O)c1cc[c-]cc1C.[CH3-].[Y]
InChIInChI=1S/C9H9O.CH3.Y/c1-7-5-3-4-6-9(7)8(2)10;;/h4-6H,1-2H3;1H3;/q2*-1;
InChIKeyHVQVCJHOKBRZRD-UHFFFAOYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.11
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;ethane;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium
CID 158450240
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)
CID 54711351
2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium
CID 58913104
1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium
CID 58694735
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum
CID 173480397
zinc;1-phenylethanone;chloride
CID 159964610
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium?
The IUPAC name of carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium (CID 58533651) is carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium.
What is the SMILES notation for carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium?
The canonical SMILES for carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium is CC(=O)c1cc[c-]cc1C.[CH3-].[Y].
What is the InChIKey of carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium?
The InChIKey is HVQVCJHOKBRZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O.CH3.Y/c1-7-5-3-4-6-9(7)8(2)10;;/h4-6H,1-2H3;1H3;/q2*-1;.
What are the key properties of carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium?
carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium has a molecular weight of 237.11 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium is sourced from PubChem (CID 58533651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).