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

C11H15N3O2 — CID 71004642

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone
SMILESNc1coc(C(=O)N2CC3CNCC3C2)c1
InChIInChI=1S/C11H15N3O2/c12-9-1-10(16-6-9)11(15)14-4-7-2-13-3-8(7)5-14/h1,6-8,13H,2-5,12H2
InChIKeyYMTSIWYNURBYAS-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.15
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone (PubChem CID 71004642) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone
PubChem CID71004642
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone
SMILESNc1coc(C(=O)N2CC3CNCC3C2)c1
InChIInChI=1S/C11H15N3O2/c12-9-1-10(16-6-9)11(15)14-4-7-2-13-3-8(7)5-14/h1,6-8,13H,2-5,12H2
InChIKeyYMTSIWYNURBYAS-UHFFFAOYSA-N
XLogP0.15
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(4-aminofuran-2-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone (CID 71004642) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone is Nc1coc(C(=O)N2CC3CNCC3C2)c1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone?
The InChIKey is YMTSIWYNURBYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-9-1-10(16-6-9)11(15)14-4-7-2-13-3-8(7)5-14/h1,6-8,13H,2-5,12H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-aminofuran-2-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.15, 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-(4-aminofuran-2-yl)methanone is sourced from PubChem (CID 71004642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).