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

C11H15N3O3 — CID 24945209

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CC3CNCC3C2)on1
InChIInChI=1S/C11H15N3O3/c1-16-10-2-9(17-13-10)11(15)14-5-7-3-12-4-8(7)6-14/h2,7-8,12H,3-6H2,1H3
InChIKeyCOFFAHPUFACRCJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.03
Rot. Bonds2

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 24945209) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID24945209
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CC3CNCC3C2)on1
InChIInChI=1S/C11H15N3O3/c1-16-10-2-9(17-13-10)11(15)14-5-7-3-12-4-8(7)6-14/h2,7-8,12H,3-6H2,1H3
InChIKeyCOFFAHPUFACRCJ-UHFFFAOYSA-N
XLogP-0.03
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 24945209) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)N2CC3CNCC3C2)on1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is COFFAHPUFACRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-10-2-9(17-13-10)11(15)14-5-7-3-12-4-8(7)6-14/h2,7-8,12H,3-6H2,1H3.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 237.26 g/mol, XLogP of -0.03, 2 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-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 24945209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).