4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole

C14H22N2 — CID 155403712

IUPAC4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole
SMILESCC(C)(C)c1[nH]c2[nH]ccc2c1C(C)(C)C
InChIInChI=1S/C14H22N2/c1-13(2,3)10-9-7-8-15-12(9)16-11(10)14(4,5)6/h7-8,15-16H,1-6H3
InChIKeyTYVACAMLLSIOBI-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.09
Rot. Bonds

About 4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole

4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole (PubChem CID 155403712) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole.

Molecular Properties

Compound Name4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole
PubChem CID155403712
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole
SMILESCC(C)(C)c1[nH]c2[nH]ccc2c1C(C)(C)C
InChIInChI=1S/C14H22N2/c1-13(2,3)10-9-7-8-15-12(9)16-11(10)14(4,5)6/h7-8,15-16H,1-6H3
InChIKeyTYVACAMLLSIOBI-UHFFFAOYSA-N
XLogP4.09
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole?
The IUPAC name of 4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole (CID 155403712) is 4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole.
What is the SMILES notation for 4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole?
The canonical SMILES for 4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole is CC(C)(C)c1[nH]c2[nH]ccc2c1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole?
The InChIKey is TYVACAMLLSIOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-13(2,3)10-9-7-8-15-12(9)16-11(10)14(4,5)6/h7-8,15-16H,1-6H3.
What are the key properties of 4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole?
4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole has a molecular weight of 218.34 g/mol, XLogP of 4.09, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1,6-dihydropyrrolo[2,3-b]pyrrole is sourced from PubChem (CID 155403712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).