2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole

C7H10N2 — CID 82418938

IUPAC2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole
SMILESCc1cc2c([nH]1)CNC2
InChIInChI=1S/C7H10N2/c1-5-2-6-3-8-4-7(6)9-5/h2,8-9H,3-4H2,1H3
InChIKeyQKNRINHNALCENE-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.93
Rot. Bonds

About 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole

2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole (PubChem CID 82418938) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole
PubChem CID82418938
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole
SMILESCc1cc2c([nH]1)CNC2
InChIInChI=1S/C7H10N2/c1-5-2-6-3-8-4-7(6)9-5/h2,8-9H,3-4H2,1H3
InChIKeyQKNRINHNALCENE-UHFFFAOYSA-N
XLogP0.93
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole
CID 82417631
2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrole
CID 11819082
2-methyl-1,4,6,7-tetrahydrothiopyrano[4,3-b]pyrrole
CID 82416753
2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carboxamide;hydrochloride
CID 91623841
1,5,6,7-tetrahydropyrrolo[3,4-b]pyridin-2-one;dihydrochloride
CID 155943618
ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 144959270
5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane
CID 156822930
4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 77174580
ethane;8-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][2]benzazepin-2-amine
CID 144594008
2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone
CID 116613125
methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate
CID 52987735
methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 161271104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole?
The IUPAC name of 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole (CID 82418938) is 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole.
What is the SMILES notation for 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole?
The canonical SMILES for 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole is Cc1cc2c([nH]1)CNC2.
What is the InChIKey of 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole?
The InChIKey is QKNRINHNALCENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-2-6-3-8-4-7(6)9-5/h2,8-9H,3-4H2,1H3.
What are the key properties of 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole?
2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole has a molecular weight of 122.17 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 82418938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).