4-methoxybenzene-3,5-diid-1-amine;bis(yttrium)

C7H7NOY2-2 — CID 58108283

IUPAC4-methoxybenzene-3,5-diid-1-amine;bis(yttrium)
SMILESCOc1[c-]cc(N)c[c-]1.[Y].[Y]
InChIInChI=1S/C7H7NO.2Y/c1-9-7-4-2-6(8)3-5-7;;/h2-3H,8H2,1H3;;/q-2;;
InChIKeyKCMBMOZWMWYSMZ-UHFFFAOYSA-N
MW298.95 g/mol
LogP0.87
Rot. Bonds1

About 4-methoxybenzene-3,5-diid-1-amine;bis(yttrium)

4-methoxybenzene-3,5-diid-1-amine;bis(yttrium) (PubChem CID 58108283) has the molecular formula C7H7NOY2-2 and a molecular weight of 298.95 g/mol. Its IUPAC name is 4-methoxybenzene-3,5-diid-1-amine;bis(yttrium).

Molecular Properties

Compound Name4-methoxybenzene-3,5-diid-1-amine;bis(yttrium)
PubChem CID58108283
Molecular FormulaC7H7NOY2-2
Molecular Weight298.95 g/mol
Exact Mass298.87
IUPAC Name4-methoxybenzene-3,5-diid-1-amine;bis(yttrium)
SMILESCOc1[c-]cc(N)c[c-]1.[Y].[Y]
InChIInChI=1S/C7H7NO.2Y/c1-9-7-4-2-6(8)3-5-7;;/h2-3H,8H2,1H3;;/q-2;;
InChIKeyKCMBMOZWMWYSMZ-UHFFFAOYSA-N
XLogP0.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.95
LogP ≤ 50.87
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'}

Analyze 4-methoxybenzene-3,5-diid-1-amine;bis(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 4-methoxybenzene-3,5-diid-1-amine;bis(yttrium)?
The IUPAC name of 4-methoxybenzene-3,5-diid-1-amine;bis(yttrium) (CID 58108283) is 4-methoxybenzene-3,5-diid-1-amine;bis(yttrium).
What is the SMILES notation for 4-methoxybenzene-3,5-diid-1-amine;bis(yttrium)?
The canonical SMILES for 4-methoxybenzene-3,5-diid-1-amine;bis(yttrium) is COc1[c-]cc(N)c[c-]1.[Y].[Y].
What is the InChIKey of 4-methoxybenzene-3,5-diid-1-amine;bis(yttrium)?
The InChIKey is KCMBMOZWMWYSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.2Y/c1-9-7-4-2-6(8)3-5-7;;/h2-3H,8H2,1H3;;/q-2;;.
What are the key properties of 4-methoxybenzene-3,5-diid-1-amine;bis(yttrium)?
4-methoxybenzene-3,5-diid-1-amine;bis(yttrium) has a molecular weight of 298.95 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzene-3,5-diid-1-amine;bis(yttrium) is sourced from PubChem (CID 58108283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).