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

C12H20N2O2 — CID 81330076

IUPAC[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CC[C@H]3CNC[C@H]32)O1
InChIInChI=1S/C12H20N2O2/c1-8-2-3-11(16-8)12(15)14-5-4-9-6-13-7-10(9)14/h8-11,13H,2-7H2,1H3/t8?,9-,10+,11?/m0/s1
InChIKeyANLGOLNEXWOXPU-LIZLNQBYSA-N
MW224.30 g/mol
LogP0.37
Rot. Bonds1

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

[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone (PubChem CID 81330076) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone
PubChem CID81330076
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CC[C@H]3CNC[C@H]32)O1
InChIInChI=1S/C12H20N2O2/c1-8-2-3-11(16-8)12(15)14-5-4-9-6-13-7-10(9)14/h8-11,13H,2-7H2,1H3/t8?,9-,10+,11?/m0/s1
InChIKeyANLGOLNEXWOXPU-LIZLNQBYSA-N
XLogP0.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone?
The IUPAC name of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone (CID 81330076) is [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)N2CC[C@H]3CNC[C@H]32)O1.
What is the InChIKey of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone?
The InChIKey is ANLGOLNEXWOXPU-LIZLNQBYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-2-3-11(16-8)12(15)14-5-4-9-6-13-7-10(9)14/h8-11,13H,2-7H2,1H3/t8?,9-,10+,11?/m0/s1.
What are the key properties of [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone?
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone has a molecular weight of 224.30 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81330076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).