2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium

C11H12NY- — CID 59758696

IUPAC2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium
SMILESCC1=Nc2c[c-]c(C)cc2CC1.[Y]
InChIInChI=1S/C11H12N.Y/c1-8-3-6-11-10(7-8)5-4-9(2)12-11;/h6-7H,4-5H2,1-2H3;/q-1;
InChIKeyIQCMUPCODWRHTM-UHFFFAOYSA-N
MW247.13 g/mol
LogP2.83
Rot. Bonds

About 2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium

2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium (PubChem CID 59758696) has the molecular formula C11H12NY- and a molecular weight of 247.13 g/mol. Its IUPAC name is 2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium.

Molecular Properties

Compound Name2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium
PubChem CID59758696
Molecular FormulaC11H12NY-
Molecular Weight247.13 g/mol
Exact Mass247.00
IUPAC Name2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium
SMILESCC1=Nc2c[c-]c(C)cc2CC1.[Y]
InChIInChI=1S/C11H12N.Y/c1-8-3-6-11-10(7-8)5-4-9(2)12-11;/h6-7H,4-5H2,1-2H3;/q-1;
InChIKeyIQCMUPCODWRHTM-UHFFFAOYSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium?
The IUPAC name of 2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium (CID 59758696) is 2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium.
What is the SMILES notation for 2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium?
The canonical SMILES for 2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium is CC1=Nc2c[c-]c(C)cc2CC1.[Y].
What is the InChIKey of 2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium?
The InChIKey is IQCMUPCODWRHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N.Y/c1-8-3-6-11-10(7-8)5-4-9(2)12-11;/h6-7H,4-5H2,1-2H3;/q-1;.
What are the key properties of 2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium?
2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium has a molecular weight of 247.13 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,7-dihydro-3H-quinolin-7-ide;yttrium is sourced from PubChem (CID 59758696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).