6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium

C11H12NO2Y- — CID 166464677

IUPAC6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium
SMILESCOc1[c-]cc2c(c1)CCN(C)C2=O.[Y]
InChIInChI=1S/C11H12NO2.Y/c1-12-6-5-8-7-9(14-2)3-4-10(8)11(12)13;/h4,7H,5-6H2,1-2H3;/q-1;
InChIKeyKCROEKUARVERRO-UHFFFAOYSA-N
MW279.13 g/mol
LogP1.12
Rot. Bonds1

About 6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium

6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium (PubChem CID 166464677) has the molecular formula C11H12NO2Y- and a molecular weight of 279.13 g/mol. Its IUPAC name is 6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium.

Molecular Properties

Compound Name6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium
PubChem CID166464677
Molecular FormulaC11H12NO2Y-
Molecular Weight279.13 g/mol
Exact Mass278.99
IUPAC Name6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium
SMILESCOc1[c-]cc2c(c1)CCN(C)C2=O.[Y]
InChIInChI=1S/C11H12NO2.Y/c1-12-6-5-8-7-9(14-2)3-4-10(8)11(12)13;/h4,7H,5-6H2,1-2H3;/q-1;
InChIKeyKCROEKUARVERRO-UHFFFAOYSA-N
XLogP1.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.12
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 6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium?
The IUPAC name of 6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium (CID 166464677) is 6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium.
What is the SMILES notation for 6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium?
The canonical SMILES for 6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium is COc1[c-]cc2c(c1)CCN(C)C2=O.[Y].
What is the InChIKey of 6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium?
The InChIKey is KCROEKUARVERRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO2.Y/c1-12-6-5-8-7-9(14-2)3-4-10(8)11(12)13;/h4,7H,5-6H2,1-2H3;/q-1;.
What are the key properties of 6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium?
6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium has a molecular weight of 279.13 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-4,7-dihydro-3H-isoquinolin-7-id-1-one;yttrium is sourced from PubChem (CID 166464677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).