7-methyl-2H-quinoxalin-2-ide;propane;yttrium

C12H14N2Y-2 — CID 58546773

IUPAC7-methyl-2H-quinoxalin-2-ide;propane;yttrium
SMILESC[CH-]C.Cc1ccc2nc[c-]nc2c1.[Y]
InChIInChI=1S/C9H7N2.C3H7.Y/c1-7-2-3-8-9(6-7)11-5-4-10-8;1-3-2;/h2-4,6H,1H3;3H,1-2H3;/q2*-1;
InChIKeyDNFQDRWQQHYNIC-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.97
Rot. Bonds

About 7-methyl-2H-quinoxalin-2-ide;propane;yttrium

7-methyl-2H-quinoxalin-2-ide;propane;yttrium (PubChem CID 58546773) has the molecular formula C12H14N2Y-2 and a molecular weight of 275.16 g/mol. Its IUPAC name is 7-methyl-2H-quinoxalin-2-ide;propane;yttrium.

Molecular Properties

Compound Name7-methyl-2H-quinoxalin-2-ide;propane;yttrium
PubChem CID58546773
Molecular FormulaC12H14N2Y-2
Molecular Weight275.16 g/mol
Exact Mass275.02
IUPAC Name7-methyl-2H-quinoxalin-2-ide;propane;yttrium
SMILESC[CH-]C.Cc1ccc2nc[c-]nc2c1.[Y]
InChIInChI=1S/C9H7N2.C3H7.Y/c1-7-2-3-8-9(6-7)11-5-4-10-8;1-3-2;/h2-4,6H,1H3;3H,1-2H3;/q2*-1;
InChIKeyDNFQDRWQQHYNIC-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-methyl-2H-quinoxalin-2-ide;propane;yttrium?
The IUPAC name of 7-methyl-2H-quinoxalin-2-ide;propane;yttrium (CID 58546773) is 7-methyl-2H-quinoxalin-2-ide;propane;yttrium.
What is the SMILES notation for 7-methyl-2H-quinoxalin-2-ide;propane;yttrium?
The canonical SMILES for 7-methyl-2H-quinoxalin-2-ide;propane;yttrium is C[CH-]C.Cc1ccc2nc[c-]nc2c1.[Y].
What is the InChIKey of 7-methyl-2H-quinoxalin-2-ide;propane;yttrium?
The InChIKey is DNFQDRWQQHYNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2.C3H7.Y/c1-7-2-3-8-9(6-7)11-5-4-10-8;1-3-2;/h2-4,6H,1H3;3H,1-2H3;/q2*-1;.
What are the key properties of 7-methyl-2H-quinoxalin-2-ide;propane;yttrium?
7-methyl-2H-quinoxalin-2-ide;propane;yttrium has a molecular weight of 275.16 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2H-quinoxalin-2-ide;propane;yttrium is sourced from PubChem (CID 58546773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).