1-methyl-5H-isoquinolin-5-ide;yttrium

C10H8NY- — CID 59098083

IUPAC1-methyl-5H-isoquinolin-5-ide;yttrium
SMILESCc1nccc2[c-]cccc12.[Y]
InChIInChI=1S/C10H8N.Y/c1-8-10-5-3-2-4-9(10)6-7-11-8;/h2-3,5-7H,1H3;/q-1;
InChIKeyLSRKCRIIDSXZDO-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.34
Rot. Bonds

About 1-methyl-5H-isoquinolin-5-ide;yttrium

1-methyl-5H-isoquinolin-5-ide;yttrium (PubChem CID 59098083) has the molecular formula C10H8NY- and a molecular weight of 231.09 g/mol. Its IUPAC name is 1-methyl-5H-isoquinolin-5-ide;yttrium.

Molecular Properties

Compound Name1-methyl-5H-isoquinolin-5-ide;yttrium
PubChem CID59098083
Molecular FormulaC10H8NY-
Molecular Weight231.09 g/mol
Exact Mass230.97
IUPAC Name1-methyl-5H-isoquinolin-5-ide;yttrium
SMILESCc1nccc2[c-]cccc12.[Y]
InChIInChI=1S/C10H8N.Y/c1-8-10-5-3-2-4-9(10)6-7-11-8;/h2-3,5-7H,1H3;/q-1;
InChIKeyLSRKCRIIDSXZDO-UHFFFAOYSA-N
XLogP2.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.34
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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Related Compounds

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3h-Quinoline
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5H-isoquinolin-5-ide;yttrium?
The IUPAC name of 1-methyl-5H-isoquinolin-5-ide;yttrium (CID 59098083) is 1-methyl-5H-isoquinolin-5-ide;yttrium.
What is the SMILES notation for 1-methyl-5H-isoquinolin-5-ide;yttrium?
The canonical SMILES for 1-methyl-5H-isoquinolin-5-ide;yttrium is Cc1nccc2[c-]cccc12.[Y].
What is the InChIKey of 1-methyl-5H-isoquinolin-5-ide;yttrium?
The InChIKey is LSRKCRIIDSXZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N.Y/c1-8-10-5-3-2-4-9(10)6-7-11-8;/h2-3,5-7H,1H3;/q-1;.
What are the key properties of 1-methyl-5H-isoquinolin-5-ide;yttrium?
1-methyl-5H-isoquinolin-5-ide;yttrium has a molecular weight of 231.09 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5H-isoquinolin-5-ide;yttrium is sourced from PubChem (CID 59098083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).