(3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one

C5H8N2O2 — CID 86338214

IUPAC(3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one
SMILESO=C1ONN2CCC[C@H]12
InChIInChI=1S/C5H8N2O2/c8-5-4-2-1-3-7(4)6-9-5/h4,6H,1-3H2/t4-/m1/s1
InChIKeyTVSOXSXENLOYNX-SCSAIBSYSA-N
MW128.13 g/mol
LogP-0.57
Rot. Bonds

About (3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one

(3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one (PubChem CID 86338214) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is (3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one.

Molecular Properties

Compound Name(3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one
PubChem CID86338214
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name(3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one
SMILESO=C1ONN2CCC[C@H]12
InChIInChI=1S/C5H8N2O2/c8-5-4-2-1-3-7(4)6-9-5/h4,6H,1-3H2/t4-/m1/s1
InChIKeyTVSOXSXENLOYNX-SCSAIBSYSA-N
XLogP-0.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one?
The IUPAC name of (3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one (CID 86338214) is (3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one.
What is the SMILES notation for (3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one?
The canonical SMILES for (3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one is O=C1ONN2CCC[C@H]12.
What is the InChIKey of (3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one?
The InChIKey is TVSOXSXENLOYNX-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8N2O2/c8-5-4-2-1-3-7(4)6-9-5/h4,6H,1-3H2/t4-/m1/s1.
What are the key properties of (3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one?
(3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one has a molecular weight of 128.13 g/mol, XLogP of -0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3a,4,5,6-tetrahydro-1H-pyrrolo[1,2-c]oxadiazol-3-one is sourced from PubChem (CID 86338214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).