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

C9H13NY3-2 — CID 59860018

IUPAC4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)
SMILESCC(C)(C)C1=CC=N[CH-][CH-]1.[Y].[Y].[Y]
InChIInChI=1S/C9H13N.3Y/c1-9(2,3)8-4-6-10-7-5-8;;;/h4-7H,1-3H3;;;/q-2;;;
InChIKeyJOBKODVNWIOKPK-UHFFFAOYSA-N
MW401.93 g/mol
LogP2.40
Rot. Bonds

About 4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)

4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium) (PubChem CID 59860018) has the molecular formula C9H13NY3-2 and a molecular weight of 401.93 g/mol. Its IUPAC name is 4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium).

Molecular Properties

Compound Name4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)
PubChem CID59860018
Molecular FormulaC9H13NY3-2
Molecular Weight401.93 g/mol
Exact Mass401.82
IUPAC Name4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)
SMILESCC(C)(C)C1=CC=N[CH-][CH-]1.[Y].[Y].[Y]
InChIInChI=1S/C9H13N.3Y/c1-9(2,3)8-4-6-10-7-5-8;;;/h4-7H,1-3H3;;;/q-2;;;
InChIKeyJOBKODVNWIOKPK-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-ethyl-3,3-dimethyl-2H-pyridine
CID 21561178
3-(2,2-dimethylpropyl)-2H-pyrrole
CID 58234721
4-Tert-butyl-2,3-dihydropyridine
CID 59813250
5-Tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)
CID 59860169
4-Propan-2-yl-2,3-dihydropyridine
CID 90868879
4-(2,2-Dimethylpropyl)-2,3-dihydropyridine
CID 129189299
3-methyl-3-propyl-2H-pyridine
CID 153692976
3,3,4-trimethyl-2H-pyridine
CID 167223884
N-[(E)-3-tert-butylpent-3-enyl]ethanimine
CID 170091861

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)?
The IUPAC name of 4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium) (CID 59860018) is 4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium).
What is the SMILES notation for 4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)?
The canonical SMILES for 4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium) is CC(C)(C)C1=CC=N[CH-][CH-]1.[Y].[Y].[Y].
What is the InChIKey of 4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)?
The InChIKey is JOBKODVNWIOKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.3Y/c1-9(2,3)8-4-6-10-7-5-8;;;/h4-7H,1-3H3;;;/q-2;;;.
What are the key properties of 4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium)?
4-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 4-tert-butyl-2,3-dihydropyridine-2,3-diide;tris(yttrium) is sourced from PubChem (CID 59860018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).