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

C11H15N3O3 — CID 68602043

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CC3CCNC3C2)on1
InChIInChI=1S/C11H15N3O3/c1-16-10-4-9(17-13-10)11(15)14-5-7-2-3-12-8(7)6-14/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyDTJSHVLMTQLEQG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.12
Rot. Bonds2

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone (PubChem CID 68602043) 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[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
PubChem CID68602043
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone
SMILESCOc1cc(C(=O)N2CC3CCNC3C2)on1
InChIInChI=1S/C11H15N3O3/c1-16-10-4-9(17-13-10)11(15)14-5-7-2-3-12-8(7)6-14/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyDTJSHVLMTQLEQG-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
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[2,3-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[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone (CID 68602043) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-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[2,3-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[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone is COc1cc(C(=O)N2CC3CCNC3C2)on1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is DTJSHVLMTQLEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-10-4-9(17-13-10)11(15)14-5-7-2-3-12-8(7)6-14/h4,7-8,12H,2-3,5-6H2,1H3.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 237.26 g/mol, XLogP of 0.12, 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[2,3-c]pyrrol-5-yl-(3-methoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 68602043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).