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

C14H22N4O — CID 66242358

IUPAC5-cyclopropyl-3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
SMILESCC1(C)C2CNCC2CN1Cc1noc(C2CC2)n1
InChIInChI=1S/C14H22N4O/c1-14(2)11-6-15-5-10(11)7-18(14)8-12-16-13(19-17-12)9-3-4-9/h9-11,15H,3-8H2,1-2H3
InChIKeyIDWIXVOPWLDVNB-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.38
Rot. Bonds3

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

5-cyclopropyl-3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole (PubChem CID 66242358) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-cyclopropyl-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 Name5-cyclopropyl-3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
PubChem CID66242358
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-cyclopropyl-3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
SMILESCC1(C)C2CNCC2CN1Cc1noc(C2CC2)n1
InChIInChI=1S/C14H22N4O/c1-14(2)11-6-15-5-10(11)7-18(14)8-12-16-13(19-17-12)9-3-4-9/h9-11,15H,3-8H2,1-2H3
InChIKeyIDWIXVOPWLDVNB-UHFFFAOYSA-N
XLogP1.38
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-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 5-cyclopropyl-3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole (CID 66242358) is 5-cyclopropyl-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 5-cyclopropyl-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 5-cyclopropyl-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)C2CNCC2CN1Cc1noc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-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 IDWIXVOPWLDVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2)11-6-15-5-10(11)7-18(14)8-12-16-13(19-17-12)9-3-4-9/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole?
5-cyclopropyl-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 262.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-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 66242358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).