5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole

C11H18N2 — CID 131997924

IUPAC5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole
SMILESCC1=NC2=C(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C11H18N2/c1-8-5-9-6-13(11(2,3)4)7-10(9)12-8/h5-7H2,1-4H3
InChIKeyJPALBAYJYBAYNN-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.22
Rot. Bonds

About 5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole

5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole (PubChem CID 131997924) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole
PubChem CID131997924
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole
SMILESCC1=NC2=C(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C11H18N2/c1-8-5-9-6-13(11(2,3)4)7-10(9)12-8/h5-7H2,1-4H3
InChIKeyJPALBAYJYBAYNN-UHFFFAOYSA-N
XLogP2.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole (CID 131997924) is 5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole is CC1=NC2=C(C1)CN(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole?
The InChIKey is JPALBAYJYBAYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-5-9-6-13(11(2,3)4)7-10(9)12-8/h5-7H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole?
5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole has a molecular weight of 178.28 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-4,6-dihydro-3H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 131997924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).