3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione

C9H15NO2 — CID 118047902

IUPAC3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
SMILESCCC(C)(C)C1CC(=O)NC1=O
InChIInChI=1S/C9H15NO2/c1-4-9(2,3)6-5-7(11)10-8(6)12/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyFSSOKRPWYUWSTH-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.09
Rot. Bonds2

About 3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione

3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione (PubChem CID 118047902) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
PubChem CID118047902
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
SMILESCCC(C)(C)C1CC(=O)NC1=O
InChIInChI=1S/C9H15NO2/c1-4-9(2,3)6-5-7(11)10-8(6)12/h6H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyFSSOKRPWYUWSTH-UHFFFAOYSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylbutan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione (CID 118047902) is 3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione is CCC(C)(C)C1CC(=O)NC1=O.
What is the InChIKey of 3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is FSSOKRPWYUWSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-9(2,3)6-5-7(11)10-8(6)12/h6H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione?
3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 169.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 118047902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).