4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole

C15H27N — CID 146956504

IUPAC4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole
SMILES[3H]C(C)(C)C1=NC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C15H27N/c1-10(2)12-9-11(14(3,4)5)13(16-12)15(6,7)8/h10H,9H2,1-8H3/i10T
InChIKeyAJSZDTNDYDZTBS-OAWTUDSLSA-N
MW223.40 g/mol
LogP4.83
Rot. Bonds1

About 4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole

4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole (PubChem CID 146956504) has the molecular formula C15H27N and a molecular weight of 223.40 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole
PubChem CID146956504
Molecular FormulaC15H27N
Molecular Weight223.40 g/mol
Exact Mass223.22
IUPAC Name4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole
SMILES[3H]C(C)(C)C1=NC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C15H27N/c1-10(2)12-9-11(14(3,4)5)13(16-12)15(6,7)8/h10H,9H2,1-8H3/i10T
InChIKeyAJSZDTNDYDZTBS-OAWTUDSLSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Tert-butyl-6-methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 143994943
2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
4-ethyl-2,3,5-trimethyl-3H-pyrrole
CID 21054911
3,4,5,6-Tetramethyl-2-propan-2-yl-3,4-dihydropyridine
CID 57757693
2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole
CID 58032103
2,3,3,4,4,5,6-Heptamethylpyridine
CID 58108493
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
2-(2,4-Dimethylpentan-2-yl)-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+)
CID 58746480
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494
3,3,4,4-Tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
CID 58795703
2,4,5-tri(propan-2-yl)-3H-pyrrole
CID 59300719
4,5-ditert-butyl-2-methyl-3H-pyrrole
CID 59636879

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole?
The IUPAC name of 4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole (CID 146956504) is 4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole.
What is the SMILES notation for 4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole?
The canonical SMILES for 4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole is [3H]C(C)(C)C1=NC(C(C)(C)C)=C(C(C)(C)C)C1.
What is the InChIKey of 4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole?
The InChIKey is AJSZDTNDYDZTBS-OAWTUDSLSA-N. The full InChI is InChI=1S/C15H27N/c1-10(2)12-9-11(14(3,4)5)13(16-12)15(6,7)8/h10H,9H2,1-8H3/i10T.
What are the key properties of 4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole?
4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole has a molecular weight of 223.40 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole is sourced from PubChem (CID 146956504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).