6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole

C13H18N2 — CID 90310331

IUPAC6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole
SMILESCC(C)C1=C(C(C)(C)C)C2=NC=CC2=N1
InChIInChI=1S/C13H18N2/c1-8(2)11-10(13(3,4)5)12-9(15-11)6-7-14-12/h6-8H,1-5H3
InChIKeyOESAOIQOOMQGTO-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.37
Rot. Bonds1

About 6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole

6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole (PubChem CID 90310331) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole
PubChem CID90310331
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole
SMILESCC(C)C1=C(C(C)(C)C)C2=NC=CC2=N1
InChIInChI=1S/C13H18N2/c1-8(2)11-10(13(3,4)5)12-9(15-11)6-7-14-12/h6-8H,1-5H3
InChIKeyOESAOIQOOMQGTO-UHFFFAOYSA-N
XLogP3.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole?
The IUPAC name of 6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole (CID 90310331) is 6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole?
The canonical SMILES for 6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole is CC(C)C1=C(C(C)(C)C)C2=NC=CC2=N1.
What is the InChIKey of 6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole?
The InChIKey is OESAOIQOOMQGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8(2)11-10(13(3,4)5)12-9(15-11)6-7-14-12/h6-8H,1-5H3.
What are the key properties of 6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole?
6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole has a molecular weight of 202.30 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 90310331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).