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

C9H9NOY-2 — CID 162682660

IUPACN-(3-methylbenzene-6-id-1-yl)acetamide;yttrium
SMILES[CH2-]C(=O)Nc1[c-]ccc(C)c1.[Y]
InChIInChI=1S/C9H9NO.Y/c1-7-4-3-5-9(6-7)10-8(2)11;/h3-4,6H,2H2,1H3,(H,10,11);/q-2;
InChIKeyXMEWEIMEYXDLEN-UHFFFAOYSA-N
MW236.08 g/mol
LogP1.57
Rot. Bonds1

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

N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium (PubChem CID 162682660) has the molecular formula C9H9NOY-2 and a molecular weight of 236.08 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 CID162682660
Molecular FormulaC9H9NOY-2
Molecular Weight236.08 g/mol
Exact Mass235.98
IUPAC NameN-(3-methylbenzene-6-id-1-yl)acetamide;yttrium
SMILES[CH2-]C(=O)Nc1[c-]ccc(C)c1.[Y]
InChIInChI=1S/C9H9NO.Y/c1-7-4-3-5-9(6-7)10-8(2)11;/h3-4,6H,2H2,1H3,(H,10,11);/q-2;
InChIKeyXMEWEIMEYXDLEN-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 51.57
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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Related Compounds

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N-(3-amino-4-chlorophenyl)-3-methylbenzamide
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N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea
CID 4205800
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)acetamide
CID 62537999
3-methylbenzene-6-ide-1-carbaldehyde;yttrium(3+)
CID 20785774
N-(3-methylphenyl)acetamide
CID 10843

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 162682660) 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 [CH2-]C(=O)Nc1[c-]ccc(C)c1.[Y].
What is the InChIKey of N-(3-methylbenzene-6-id-1-yl)acetamide;yttrium?
The InChIKey is XMEWEIMEYXDLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.Y/c1-7-4-3-5-9(6-7)10-8(2)11;/h3-4,6H,2H2,1H3,(H,10,11);/q-2;.
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 236.08 g/mol, XLogP of 1.57, 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 162682660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).