1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium

C10H12NY- — CID 177158601

IUPAC1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium
SMILESCC1[N-]C(C)c2ccccc21.[Y]
InChIInChI=1S/C10H12N.Y/c1-7-9-5-3-4-6-10(9)8(2)11-7;/h3-8H,1-2H3;/q-1;
InChIKeyXJDCQYWQOMKWJP-UHFFFAOYSA-N
MW235.12 g/mol
LogP3.19
Rot. Bonds

About 1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium

1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium (PubChem CID 177158601) has the molecular formula C10H12NY- and a molecular weight of 235.12 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium.

Molecular Properties

Compound Name1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium
PubChem CID177158601
Molecular FormulaC10H12NY-
Molecular Weight235.12 g/mol
Exact Mass235.00
IUPAC Name1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium
SMILESCC1[N-]C(C)c2ccccc21.[Y]
InChIInChI=1S/C10H12N.Y/c1-7-9-5-3-4-6-10(9)8(2)11-7;/h3-8H,1-2H3;/q-1;
InChIKeyXJDCQYWQOMKWJP-UHFFFAOYSA-N
XLogP3.19
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium?
The IUPAC name of 1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium (CID 177158601) is 1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium.
What is the SMILES notation for 1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium?
The canonical SMILES for 1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium is CC1[N-]C(C)c2ccccc21.[Y].
What is the InChIKey of 1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium?
The InChIKey is XJDCQYWQOMKWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N.Y/c1-7-9-5-3-4-6-10(9)8(2)11-7;/h3-8H,1-2H3;/q-1;.
What are the key properties of 1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium?
1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium has a molecular weight of 235.12 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium is sourced from PubChem (CID 177158601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).