3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione

C10H13N3O3 — CID 138991870

IUPAC3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1noc(CN2C(=O)CC(C)(C)C2=O)n1
InChIInChI=1S/C10H13N3O3/c1-6-11-7(16-12-6)5-13-8(14)4-10(2,3)9(13)15/h4-5H2,1-3H3
InChIKeyMUTDINUFEXTZGX-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.66
Rot. Bonds2

About 3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 138991870) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione
PubChem CID138991870
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1noc(CN2C(=O)CC(C)(C)C2=O)n1
InChIInChI=1S/C10H13N3O3/c1-6-11-7(16-12-6)5-13-8(14)4-10(2,3)9(13)15/h4-5H2,1-3H3
InChIKeyMUTDINUFEXTZGX-UHFFFAOYSA-N
XLogP0.66
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione (CID 138991870) is 3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione is Cc1noc(CN2C(=O)CC(C)(C)C2=O)n1.
What is the InChIKey of 3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is MUTDINUFEXTZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-11-7(16-12-6)5-13-8(14)4-10(2,3)9(13)15/h4-5H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 223.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 138991870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).