3-aminobenzene-4-id-1-ol;yttrium

C6H6NOY- — CID 59919049

IUPAC3-aminobenzene-4-id-1-ol;yttrium
SMILESNc1[c-]ccc(O)c1.[Y]
InChIInChI=1S/C6H6NO.Y/c7-5-2-1-3-6(8)4-5;/h1,3-4,8H,7H2;/q-1;
InChIKeyJXNUJTDTILXEQJ-UHFFFAOYSA-N
MW197.03 g/mol
LogP0.77
Rot. Bonds

About 3-aminobenzene-4-id-1-ol;yttrium

3-aminobenzene-4-id-1-ol;yttrium (PubChem CID 59919049) has the molecular formula C6H6NOY- and a molecular weight of 197.03 g/mol. Its IUPAC name is 3-aminobenzene-4-id-1-ol;yttrium.

Molecular Properties

Compound Name3-aminobenzene-4-id-1-ol;yttrium
PubChem CID59919049
Molecular FormulaC6H6NOY-
Molecular Weight197.03 g/mol
Exact Mass196.95
IUPAC Name3-aminobenzene-4-id-1-ol;yttrium
SMILESNc1[c-]ccc(O)c1.[Y]
InChIInChI=1S/C6H6NO.Y/c7-5-2-1-3-6(8)4-5;/h1,3-4,8H,7H2;/q-1;
InChIKeyJXNUJTDTILXEQJ-UHFFFAOYSA-N
XLogP0.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.03
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-aminobenzene-4-id-1-ol;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-aminobenzene-4-id-1-ol;yttrium?
The IUPAC name of 3-aminobenzene-4-id-1-ol;yttrium (CID 59919049) is 3-aminobenzene-4-id-1-ol;yttrium.
What is the SMILES notation for 3-aminobenzene-4-id-1-ol;yttrium?
The canonical SMILES for 3-aminobenzene-4-id-1-ol;yttrium is Nc1[c-]ccc(O)c1.[Y].
What is the InChIKey of 3-aminobenzene-4-id-1-ol;yttrium?
The InChIKey is JXNUJTDTILXEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO.Y/c7-5-2-1-3-6(8)4-5;/h1,3-4,8H,7H2;/q-1;.
What are the key properties of 3-aminobenzene-4-id-1-ol;yttrium?
3-aminobenzene-4-id-1-ol;yttrium has a molecular weight of 197.03 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobenzene-4-id-1-ol;yttrium is sourced from PubChem (CID 59919049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).