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

C11H14N2O2 — CID 24945123

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC2CNCC2C1
InChIInChI=1S/C11H14N2O2/c14-11(8-1-2-15-7-8)13-5-9-3-12-4-10(9)6-13/h1-2,7,9-10,12H,3-6H2
InChIKeyKIUXROKMRBBOBZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.57
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone (PubChem CID 24945123) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone
PubChem CID24945123
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC2CNCC2C1
InChIInChI=1S/C11H14N2O2/c14-11(8-1-2-15-7-8)13-5-9-3-12-4-10(9)6-13/h1-2,7,9-10,12H,3-6H2
InChIKeyKIUXROKMRBBOBZ-UHFFFAOYSA-N
XLogP0.57
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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(furan-3-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone (CID 24945123) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone is O=C(c1ccoc1)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone?
The InChIKey is KIUXROKMRBBOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(8-1-2-15-7-8)13-5-9-3-12-4-10(9)6-13/h1-2,7,9-10,12H,3-6H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone has a molecular weight of 206.24 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 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(furan-3-yl)methanone is sourced from PubChem (CID 24945123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).