(2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole

C8H16N2 — CID 90066357

IUPAC(2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole
SMILESCC[C@@H]1C[C@@H]2CNC[C@@H]2N1
InChIInChI=1S/C8H16N2/c1-2-7-3-6-4-9-5-8(6)10-7/h6-10H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKeyCIJMKESWPHCHDJ-PRJMDXOYSA-N
MW140.23 g/mol
LogP0.35
Rot. Bonds1

About (2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole

(2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole (PubChem CID 90066357) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole
PubChem CID90066357
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole
SMILESCC[C@@H]1C[C@@H]2CNC[C@@H]2N1
InChIInChI=1S/C8H16N2/c1-2-7-3-6-4-9-5-8(6)10-7/h6-10H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKeyCIJMKESWPHCHDJ-PRJMDXOYSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of (2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole (CID 90066357) is (2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for (2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole is CC[C@@H]1C[C@@H]2CNC[C@@H]2N1.
What is the InChIKey of (2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole?
The InChIKey is CIJMKESWPHCHDJ-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-7-3-6-4-9-5-8(6)10-7/h6-10H,2-5H2,1H3/t6-,7-,8+/m1/s1.
What are the key properties of (2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole?
(2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole has a molecular weight of 140.23 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 90066357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).