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

C10H8NY- — CID 59098050

IUPAC3-methyl-5H-isoquinolin-5-ide;yttrium
SMILESCc1cc2[c-]cccc2cn1.[Y]
InChIInChI=1S/C10H8N.Y/c1-8-6-9-4-2-3-5-10(9)7-11-8;/h2-3,5-7H,1H3;/q-1;
InChIKeyNOXZAFPNEURROS-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.34
Rot. Bonds

About 3-methyl-5H-isoquinolin-5-ide;yttrium

3-methyl-5H-isoquinolin-5-ide;yttrium (PubChem CID 59098050) has the molecular formula C10H8NY- and a molecular weight of 231.09 g/mol. Its IUPAC name is 3-methyl-5H-isoquinolin-5-ide;yttrium.

Molecular Properties

Compound Name3-methyl-5H-isoquinolin-5-ide;yttrium
PubChem CID59098050
Molecular FormulaC10H8NY-
Molecular Weight231.09 g/mol
Exact Mass230.97
IUPAC Name3-methyl-5H-isoquinolin-5-ide;yttrium
SMILESCc1cc2[c-]cccc2cn1.[Y]
InChIInChI=1S/C10H8N.Y/c1-8-6-9-4-2-3-5-10(9)7-11-8;/h2-3,5-7H,1H3;/q-1;
InChIKeyNOXZAFPNEURROS-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

Tetrahydroquinoline
CID 94356
6h,7h-Quinoline
CID 67835501
7,7-Dimethylquinoline
CID 129752244
(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
3-methylidene-1-(3-methylidenecyclohexa-1,5-dien-1-yl)-4H-pyridin-1-ium
CID 90880239
lithium 5H-isoquinolin-5-ide
CID 21984017
6,7-Dihydroisoquinoline
CID 45079920
ethane;7-methyl-4H-quinolin-4-ide;yttrium
CID 57629436
3-methylidene-5H-quinolin-5-ide
CID 57819672
1-phenyl-N-propylmethanimine;yttrium
CID 58003847
[(3Z)-3-prop-2-enylidene-4-pyridinylidene]tungsten
CID 58101316
2-tert-butyl-5-methylidene-4H-pyridine
CID 58468592

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5H-isoquinolin-5-ide;yttrium?
The IUPAC name of 3-methyl-5H-isoquinolin-5-ide;yttrium (CID 59098050) is 3-methyl-5H-isoquinolin-5-ide;yttrium.
What is the SMILES notation for 3-methyl-5H-isoquinolin-5-ide;yttrium?
The canonical SMILES for 3-methyl-5H-isoquinolin-5-ide;yttrium is Cc1cc2[c-]cccc2cn1.[Y].
What is the InChIKey of 3-methyl-5H-isoquinolin-5-ide;yttrium?
The InChIKey is NOXZAFPNEURROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N.Y/c1-8-6-9-4-2-3-5-10(9)7-11-8;/h2-3,5-7H,1H3;/q-1;.
What are the key properties of 3-methyl-5H-isoquinolin-5-ide;yttrium?
3-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 3-methyl-5H-isoquinolin-5-ide;yttrium is sourced from PubChem (CID 59098050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).