5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole

C11H18N2 — CID 131997922

IUPAC5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1=NCC2=C1CN(C(C)(C)C)C2
InChIInChI=1S/C11H18N2/c1-8-10-7-13(11(2,3)4)6-9(10)5-12-8/h5-7H2,1-4H3
InChIKeyOELIVRKOGAXUDS-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.87
Rot. Bonds

About 5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole

5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 131997922) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID131997922
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1=NCC2=C1CN(C(C)(C)C)C2
InChIInChI=1S/C11H18N2/c1-8-10-7-13(11(2,3)4)6-9(10)5-12-8/h5-7H2,1-4H3
InChIKeyOELIVRKOGAXUDS-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole (CID 131997922) is 5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole is CC1=NCC2=C1CN(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is OELIVRKOGAXUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-10-7-13(11(2,3)4)6-9(10)5-12-8/h5-7H2,1-4H3.
What are the key properties of 5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole?
5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 178.28 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 131997922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).