5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

C8H14N2 — CID 67771186

IUPAC5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCN1CC2=CNCC2C1
InChIInChI=1S/C8H14N2/c1-2-10-5-7-3-9-4-8(7)6-10/h3,8-9H,2,4-6H2,1H3
InChIKeyGSGAKZPADKCHLV-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.43
Rot. Bonds1

About 5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 67771186) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID67771186
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCN1CC2=CNCC2C1
InChIInChI=1S/C8H14N2/c1-2-10-5-7-3-9-4-8(7)6-10/h3,8-9H,2,4-6H2,1H3
InChIKeyGSGAKZPADKCHLV-UHFFFAOYSA-N
XLogP0.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (CID 67771186) is 5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is CCN1CC2=CNCC2C1.
What is the InChIKey of 5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is GSGAKZPADKCHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-10-5-7-3-9-4-8(7)6-10/h3,8-9H,2,4-6H2,1H3.
What are the key properties of 5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 138.21 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 67771186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).