3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole

C11H18N4O — CID 66243990

IUPAC3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
SMILESCC1(C)C2CNCC2CN1Cc1ncon1
InChIInChI=1S/C11H18N4O/c1-11(2)9-4-12-3-8(9)5-15(11)6-10-13-7-16-14-10/h7-9,12H,3-6H2,1-2H3
InChIKeyFEUURKOCVLJXKP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.50
Rot. Bonds2

About 3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole

3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole (PubChem CID 66243990) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
PubChem CID66243990
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
SMILESCC1(C)C2CNCC2CN1Cc1ncon1
InChIInChI=1S/C11H18N4O/c1-11(2)9-4-12-3-8(9)5-15(11)6-10-13-7-16-14-10/h7-9,12H,3-6H2,1-2H3
InChIKeyFEUURKOCVLJXKP-UHFFFAOYSA-N
XLogP0.50
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole (CID 66243990) is 3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole is CC1(C)C2CNCC2CN1Cc1ncon1.
What is the InChIKey of 3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is FEUURKOCVLJXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2)9-4-12-3-8(9)5-15(11)6-10-13-7-16-14-10/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole?
3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 222.29 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 66243990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).