3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione

C9H13NO4 — CID 70207682

IUPAC3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione
SMILESCC(C)(C)C(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C9H13NO4/c1-9(2,3)7(12)5-4-6(11)10(14)8(5)13/h5,14H,4H2,1-3H3
InChIKeyAHFPMCJZROEPSI-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.37
Rot. Bonds1

About 3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione

3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione (PubChem CID 70207682) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione
PubChem CID70207682
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione
SMILESCC(C)(C)C(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C9H13NO4/c1-9(2,3)7(12)5-4-6(11)10(14)8(5)13/h5,14H,4H2,1-3H3
InChIKeyAHFPMCJZROEPSI-UHFFFAOYSA-N
XLogP0.37
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione (CID 70207682) is 3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione is CC(C)(C)C(=O)C1CC(=O)N(O)C1=O.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione?
The InChIKey is AHFPMCJZROEPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-9(2,3)7(12)5-4-6(11)10(14)8(5)13/h5,14H,4H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione?
3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione has a molecular weight of 199.21 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 70207682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).