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

C9H12N4O2 — CID 24945212

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnco1)N1CC2CNCC2C1
InChIInChI=1S/C9H12N4O2/c14-9(8-12-11-5-15-8)13-3-6-1-10-2-7(6)4-13/h5-7,10H,1-4H2
InChIKeyHWSQOKGBQJLNMR-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.64
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone (PubChem CID 24945212) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone
PubChem CID24945212
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnco1)N1CC2CNCC2C1
InChIInChI=1S/C9H12N4O2/c14-9(8-12-11-5-15-8)13-3-6-1-10-2-7(6)4-13/h5-7,10H,1-4H2
InChIKeyHWSQOKGBQJLNMR-UHFFFAOYSA-N
XLogP-0.64
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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(1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone (CID 24945212) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone is O=C(c1nnco1)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is HWSQOKGBQJLNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-9(8-12-11-5-15-8)13-3-6-1-10-2-7(6)4-13/h5-7,10H,1-4H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 208.22 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 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(1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 24945212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).