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

C11H17N5O2 — CID 60972877

IUPAC2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CC3CNCC3C2)o1
InChIInChI=1S/C11H17N5O2/c1-7-14-15-11(18-7)13-10(17)6-16-4-8-2-12-3-9(8)5-16/h8-9,12H,2-6H2,1H3,(H,13,15,17)
InChIKeyMLJUPPFIQAWPSA-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.53
Rot. Bonds3

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

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 60972877) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID60972877
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CC3CNCC3C2)o1
InChIInChI=1S/C11H17N5O2/c1-7-14-15-11(18-7)13-10(17)6-16-4-8-2-12-3-9(8)5-16/h8-9,12H,2-6H2,1H3,(H,13,15,17)
InChIKeyMLJUPPFIQAWPSA-UHFFFAOYSA-N
XLogP-0.53
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 60972877) is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CN2CC3CNCC3C2)o1.
What is the InChIKey of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is MLJUPPFIQAWPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-14-15-11(18-7)13-10(17)6-16-4-8-2-12-3-9(8)5-16/h8-9,12H,2-6H2,1H3,(H,13,15,17).
What are the key properties of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 60972877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).