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

C9H16N2 — CID 131065310

IUPAC5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCCN1CC2=C(CN(C)C2)C1
InChIInChI=1S/C9H16N2/c1-3-11-6-8-4-10(2)5-9(8)7-11/h3-7H2,1-2H3
InChIKeyXQNQXTPOAYJPGL-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.56
Rot. Bonds1

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

5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 131065310) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID131065310
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCCN1CC2=C(CN(C)C2)C1
InChIInChI=1S/C9H16N2/c1-3-11-6-8-4-10(2)5-9(8)7-11/h3-7H2,1-2H3
InChIKeyXQNQXTPOAYJPGL-UHFFFAOYSA-N
XLogP0.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 131065310) is 5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is CCN1CC2=C(CN(C)C2)C1.
What is the InChIKey of 5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is XQNQXTPOAYJPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-11-6-8-4-10(2)5-9(8)7-11/h3-7H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 152.24 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 131065310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).