2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone

C12H21N3O2 — CID 141468230

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone
SMILESC[C@@H]1CNC[C@H](C(=O)N2CC3CNCC3C2)O1
InChIInChI=1S/C12H21N3O2/c1-8-2-13-5-11(17-8)12(16)15-6-9-3-14-4-10(9)7-15/h8-11,13-14H,2-7H2,1H3/t8-,9?,10?,11-/m1/s1
InChIKeyNXHVIAZZEKYMFX-AGVGLQIMSA-N
MW239.32 g/mol
LogP-0.96
Rot. Bonds1

About 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone (PubChem CID 141468230) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone
PubChem CID141468230
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone
SMILESC[C@@H]1CNC[C@H](C(=O)N2CC3CNCC3C2)O1
InChIInChI=1S/C12H21N3O2/c1-8-2-13-5-11(17-8)12(16)15-6-9-3-14-4-10(9)7-15/h8-11,13-14H,2-7H2,1H3/t8-,9?,10?,11-/m1/s1
InChIKeyNXHVIAZZEKYMFX-AGVGLQIMSA-N
XLogP-0.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone (CID 141468230) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone is C[C@@H]1CNC[C@H](C(=O)N2CC3CNCC3C2)O1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone?
The InChIKey is NXHVIAZZEKYMFX-AGVGLQIMSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-2-13-5-11(17-8)12(16)15-6-9-3-14-4-10(9)7-15/h8-11,13-14H,2-7H2,1H3/t8-,9?,10?,11-/m1/s1.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone has a molecular weight of 239.32 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone is sourced from PubChem (CID 141468230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).