5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole

C7H8N2 — CID 70640497

IUPAC5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole
SMILESCc1cc2c([nH]1)=NCC=2
InChIInChI=1S/C7H8N2/c1-5-4-6-2-3-8-7(6)9-5/h2,4H,3H2,1H3,(H,8,9)
InChIKeyCHPXVXQZLWEFKN-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.26
Rot. Bonds

About 5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole

5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole (PubChem CID 70640497) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole.

Molecular Properties

Compound Name5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole
PubChem CID70640497
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole
SMILESCc1cc2c([nH]1)=NCC=2
InChIInChI=1S/C7H8N2/c1-5-4-6-2-3-8-7(6)9-5/h2,4H,3H2,1H3,(H,8,9)
InChIKeyCHPXVXQZLWEFKN-UHFFFAOYSA-N
XLogP-0.26
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole?
The IUPAC name of 5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole (CID 70640497) is 5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole.
What is the SMILES notation for 5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole?
The canonical SMILES for 5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole is Cc1cc2c([nH]1)=NCC=2.
What is the InChIKey of 5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole?
The InChIKey is CHPXVXQZLWEFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-5-4-6-2-3-8-7(6)9-5/h2,4H,3H2,1H3,(H,8,9).
What are the key properties of 5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole?
5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole has a molecular weight of 120.15 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,6-dihydropyrrolo[2,3-b]pyrrole is sourced from PubChem (CID 70640497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).