ethenamine;methoxybenzene;yttrium

C9H11NOY-2 — CID 59063641

IUPACethenamine;methoxybenzene;yttrium
SMILESC=[C-]N.COc1cc[c-]cc1.[Y]
InChIInChI=1S/C7H7O.C2H4N.Y/c1-8-7-5-3-2-4-6-7;1-2-3;/h3-6H,1H3;1,3H2;/q2*-1;
InChIKeyFQRUBPJASQPGCV-UHFFFAOYSA-N
MW238.10 g/mol
LogP1.38
Rot. Bonds1

About ethenamine;methoxybenzene;yttrium

ethenamine;methoxybenzene;yttrium (PubChem CID 59063641) has the molecular formula C9H11NOY-2 and a molecular weight of 238.10 g/mol. Its IUPAC name is ethenamine;methoxybenzene;yttrium.

Molecular Properties

Compound Nameethenamine;methoxybenzene;yttrium
PubChem CID59063641
Molecular FormulaC9H11NOY-2
Molecular Weight238.10 g/mol
Exact Mass237.99
IUPAC Nameethenamine;methoxybenzene;yttrium
SMILESC=[C-]N.COc1cc[c-]cc1.[Y]
InChIInChI=1S/C7H7O.C2H4N.Y/c1-8-7-5-3-2-4-6-7;1-2-3;/h3-6H,1H3;1,3H2;/q2*-1;
InChIKeyFQRUBPJASQPGCV-UHFFFAOYSA-N
XLogP1.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenamine;methoxybenzene;yttrium?
The IUPAC name of ethenamine;methoxybenzene;yttrium (CID 59063641) is ethenamine;methoxybenzene;yttrium.
What is the SMILES notation for ethenamine;methoxybenzene;yttrium?
The canonical SMILES for ethenamine;methoxybenzene;yttrium is C=[C-]N.COc1cc[c-]cc1.[Y].
What is the InChIKey of ethenamine;methoxybenzene;yttrium?
The InChIKey is FQRUBPJASQPGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.C2H4N.Y/c1-8-7-5-3-2-4-6-7;1-2-3;/h3-6H,1H3;1,3H2;/q2*-1;.
What are the key properties of ethenamine;methoxybenzene;yttrium?
ethenamine;methoxybenzene;yttrium has a molecular weight of 238.10 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;methoxybenzene;yttrium is sourced from PubChem (CID 59063641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).