(6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

C7H12N2 — CID 143492539

IUPAC(6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1C=C2CNC[C@@H]2C1
InChIInChI=1S/C7H12N2/c1-9-4-6-2-8-3-7(6)5-9/h4,7-8H,2-3,5H2,1H3/t7-/m1/s1
InChIKeyJSBMGTGPTUCKPT-SSDOTTSWSA-N
MW124.19 g/mol
LogP0.04
Rot. Bonds

About (6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

(6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 143492539) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID143492539
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1C=C2CNC[C@@H]2C1
InChIInChI=1S/C7H12N2/c1-9-4-6-2-8-3-7(6)5-9/h4,7-8H,2-3,5H2,1H3/t7-/m1/s1
InChIKeyJSBMGTGPTUCKPT-SSDOTTSWSA-N
XLogP0.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydropyrrolo[3,4-c]pyrrole
CID 55286762
(1E)-N,N-dimethyl-1-pyrrolidin-3-ylidenemethanamine
CID 23053107
N,N-dimethyl-1-pyrrolidin-3-ylidenemethanamine
CID 54201813
5-methyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66698029
(3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole
CID 67396481
5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 67771186
1,2,3,5,6,6a-Hexahydropyrrolo[3,4-c]pyrrole;dihydrobromide
CID 68756863
1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
CID 69151006
5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole
CID 69243726
5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 124156506
1,2,3,5,6,6a-Hexahydropyrrolo[3,4-c]pyrrole;hydrobromide
CID 146447918
4-Methyl-1,2,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 153884643

Frequently Asked Questions

What is the IUPAC name of (6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of (6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (CID 143492539) is (6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for (6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is CN1C=C2CNC[C@@H]2C1.
What is the InChIKey of (6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is JSBMGTGPTUCKPT-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12N2/c1-9-4-6-2-8-3-7(6)5-9/h4,7-8H,2-3,5H2,1H3/t7-/m1/s1.
What are the key properties of (6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
(6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 124.19 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-5-methyl-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 143492539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).