N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium

C9H10NOY- — CID 59737261

IUPACN-(3-methylbenzene-6-id-1-yl)acetamide;yttrium
SMILESCC(=O)Nc1[c-]ccc(C)c1.[Y]
InChIInChI=1S/C9H10NO.Y/c1-7-4-3-5-9(6-7)10-8(2)11;/h3-4,6H,1-2H3,(H,10,11);/q-1;
InChIKeyKHAYZDYFWMPHHI-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.75
Rot. Bonds1

About N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium

N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium (PubChem CID 59737261) has the molecular formula C9H10NOY- and a molecular weight of 237.09 g/mol. Its IUPAC name is N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium.

Molecular Properties

Compound NameN-(3-methylbenzene-6-id-1-yl)acetamide;yttrium
PubChem CID59737261
Molecular FormulaC9H10NOY-
Molecular Weight237.09 g/mol
Exact Mass236.98
IUPAC NameN-(3-methylbenzene-6-id-1-yl)acetamide;yttrium
SMILESCC(=O)Nc1[c-]ccc(C)c1.[Y]
InChIInChI=1S/C9H10NO.Y/c1-7-4-3-5-9(6-7)10-8(2)11;/h3-4,6H,1-2H3,(H,10,11);/q-1;
InChIKeyKHAYZDYFWMPHHI-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium?
The IUPAC name of N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium (CID 59737261) is N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium.
What is the SMILES notation for N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium?
The canonical SMILES for N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium is CC(=O)Nc1[c-]ccc(C)c1.[Y].
What is the InChIKey of N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium?
The InChIKey is KHAYZDYFWMPHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO.Y/c1-7-4-3-5-9(6-7)10-8(2)11;/h3-4,6H,1-2H3,(H,10,11);/q-1;.
What are the key properties of N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium?
N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium has a molecular weight of 237.09 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium is sourced from PubChem (CID 59737261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).