3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione

C9H13NO3 — CID 65301965

IUPAC3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
SMILESCC(=O)CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C9H13NO3/c1-6(11)5-10-7(12)4-9(2,3)8(10)13/h4-5H2,1-3H3
InChIKeyRARZOUYUOUYSPL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.36
Rot. Bonds2

About 3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione

3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione (PubChem CID 65301965) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
PubChem CID65301965
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
SMILESCC(=O)CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C9H13NO3/c1-6(11)5-10-7(12)4-9(2,3)8(10)13/h4-5H2,1-3H3
InChIKeyRARZOUYUOUYSPL-UHFFFAOYSA-N
XLogP0.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-oxopropyl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione (CID 65301965) is 3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione is CC(=O)CN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione?
The InChIKey is RARZOUYUOUYSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(11)5-10-7(12)4-9(2,3)8(10)13/h4-5H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione?
3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 65301965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).