5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)

C9H13NY3-2 — CID 59860169

IUPAC5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)
SMILESCC(C)(C)C1=C[CH-][CH-]N=C1.[Y].[Y].[Y]
InChIInChI=1S/C9H13N.3Y/c1-9(2,3)8-5-4-6-10-7-8;;;/h4-7H,1-3H3;;;/q-2;;;
InChIKeyJIPIDARHYCHLMV-UHFFFAOYSA-N
MW401.93 g/mol
LogP2.40
Rot. Bonds

About 5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)

5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium) (PubChem CID 59860169) has the molecular formula C9H13NY3-2 and a molecular weight of 401.93 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium).

Molecular Properties

Compound Name5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)
PubChem CID59860169
Molecular FormulaC9H13NY3-2
Molecular Weight401.93 g/mol
Exact Mass401.82
IUPAC Name5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)
SMILESCC(C)(C)C1=C[CH-][CH-]N=C1.[Y].[Y].[Y]
InChIInChI=1S/C9H13N.3Y/c1-9(2,3)8-5-4-6-10-7-8;;;/h4-7H,1-3H3;;;/q-2;;;
InChIKeyJIPIDARHYCHLMV-UHFFFAOYSA-N
XLogP2.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.93
LogP ≤ 52.40
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

4-tert-butyl-2H-pyrrole
CID 59058981
5-Tert-butyl-2,3-dihydropyridine-2,3-diide;carbanide;tris(yttrium)
CID 59395166
4-Tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)
CID 59860018
5-Tert-butyl-2,3-dihydropyridine
CID 91382897
(Z)-2-tert-butyl-N-methylbut-2-en-1-imine
CID 126698954
5-Tert-butyl-3-methyl-2,3-dihydropyridine
CID 130252969
(Z)-2-tert-butyl-N-propylbut-2-en-1-imine
CID 130320678
5-tert-butyl-3,3-dimethyl-2H-pyridine
CID 153401921
(Z)-2-tert-butyl-N-ethylbut-2-en-1-imine
CID 155239420
4-tert-butyl-2H-pyrrole;methane
CID 161711977

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)?
The IUPAC name of 5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium) (CID 59860169) is 5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium).
What is the SMILES notation for 5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)?
The canonical SMILES for 5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium) is CC(C)(C)C1=C[CH-][CH-]N=C1.[Y].[Y].[Y].
What is the InChIKey of 5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)?
The InChIKey is JIPIDARHYCHLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.3Y/c1-9(2,3)8-5-4-6-10-7-8;;;/h4-7H,1-3H3;;;/q-2;;;.
What are the key properties of 5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)?
5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium) has a molecular weight of 401.93 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium) is sourced from PubChem (CID 59860169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).