5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole

C7H10N2 — CID 59936373

IUPAC5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole
SMILESCC1CC2=NC=CC2N1
InChIInChI=1S/C7H10N2/c1-5-4-7-6(9-5)2-3-8-7/h2-3,5-6,9H,4H2,1H3
InChIKeyBRJAKQQQJQCJLB-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.71
Rot. Bonds

About 5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole

5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole (PubChem CID 59936373) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole
PubChem CID59936373
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole
SMILESCC1CC2=NC=CC2N1
InChIInChI=1S/C7H10N2/c1-5-4-7-6(9-5)2-3-8-7/h2-3,5-6,9H,4H2,1H3
InChIKeyBRJAKQQQJQCJLB-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427185
(1R)-N-methyl-1-(3H-pyrrol-2-yl)ethanamine
CID 58427201

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole?
The IUPAC name of 5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole (CID 59936373) is 5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole?
The canonical SMILES for 5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole is CC1CC2=NC=CC2N1.
What is the InChIKey of 5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole?
The InChIKey is BRJAKQQQJQCJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-4-7-6(9-5)2-3-8-7/h2-3,5-6,9H,4H2,1H3.
What are the key properties of 5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole?
5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole has a molecular weight of 122.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3a,4,5,6-tetrahydropyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 59936373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).