(3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C8H16N2 — CID 86311379

IUPAC(3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCN1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C8H16N2/c1-2-10-5-7-3-9-4-8(7)6-10/h7-9H,2-6H2,1H3/t7-,8+
InChIKeyLEGNYJMRADOJNA-OCAPTIKFSA-N
MW140.23 g/mol
LogP0.16
Rot. Bonds1

About (3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

(3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 86311379) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID86311379
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCN1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C8H16N2/c1-2-10-5-7-3-9-4-8(7)6-10/h7-9H,2-6H2,1H3/t7-,8+
InChIKeyLEGNYJMRADOJNA-OCAPTIKFSA-N
XLogP0.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 86311379) is (3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCN1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is LEGNYJMRADOJNA-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-10-5-7-3-9-4-8(7)6-10/h7-9H,2-6H2,1H3/t7-,8+.
What are the key properties of (3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
(3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 140.23 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 86311379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).