(3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione

C10H15NO3 — CID 131169151

IUPAC(3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione
SMILESC[C@H]1C(=O)NC(=O)[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C10H15NO3/c1-5-6(7(12)10(2,3)4)9(14)11-8(5)13/h5-6H,1-4H3,(H,11,13,14)/t5-,6+/m1/s1
InChIKeySQIMMCFUKXTHRO-RITPCOANSA-N
MW197.23 g/mol
LogP0.51
Rot. Bonds1

About (3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione

(3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione (PubChem CID 131169151) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione
PubChem CID131169151
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione
SMILESC[C@H]1C(=O)NC(=O)[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C10H15NO3/c1-5-6(7(12)10(2,3)4)9(14)11-8(5)13/h5-6H,1-4H3,(H,11,13,14)/t5-,6+/m1/s1
InChIKeySQIMMCFUKXTHRO-RITPCOANSA-N
XLogP0.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione?
The IUPAC name of (3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione (CID 131169151) is (3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione is C[C@H]1C(=O)NC(=O)[C@@H]1C(=O)C(C)(C)C.
What is the InChIKey of (3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione?
The InChIKey is SQIMMCFUKXTHRO-RITPCOANSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-6(7(12)10(2,3)4)9(14)11-8(5)13/h5-6H,1-4H3,(H,11,13,14)/t5-,6+/m1/s1.
What are the key properties of (3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione?
(3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(2,2-dimethylpropanoyl)-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 131169151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).