4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole

C7H10N2 — CID 159190298

IUPAC4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCC1=NCC2=C1CNC2
InChIInChI=1S/C7H10N2/c1-5-7-4-8-2-6(7)3-9-5/h8H,2-4H2,1H3
InChIKeyKNZQUMHULVNKPH-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.36
Rot. Bonds

About 4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole

4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 159190298) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID159190298
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCC1=NCC2=C1CNC2
InChIInChI=1S/C7H10N2/c1-5-7-4-8-2-6(7)3-9-5/h8H,2-4H2,1H3
InChIKeyKNZQUMHULVNKPH-UHFFFAOYSA-N
XLogP0.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 159190298) is 4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole is CC1=NCC2=C1CNC2.
What is the InChIKey of 4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is KNZQUMHULVNKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-7-4-8-2-6(7)3-9-5/h8H,2-4H2,1H3.
What are the key properties of 4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole?
4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 122.17 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 159190298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).