(3R,4S)-3,4-dimethylpyrrolidine-2,5-dione

C6H9NO2 — CID 642605

IUPAC(3R,4S)-3,4-dimethylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)NC(=O)[C@@H]1C
InChIInChI=1S/C6H9NO2/c1-3-4(2)6(9)7-5(3)8/h3-4H,1-2H3,(H,7,8,9)/t3-,4+
InChIKeyKKDOXQYWUITYNG-ZXZARUISSA-N
MW127.14 g/mol
LogP-0.09
Rot. Bonds

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

(3R,4S)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 642605) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID642605
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3R,4S)-3,4-dimethylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)NC(=O)[C@@H]1C
InChIInChI=1S/C6H9NO2/c1-3-4(2)6(9)7-5(3)8/h3-4H,1-2H3,(H,7,8,9)/t3-,4+
InChIKeyKKDOXQYWUITYNG-ZXZARUISSA-N
XLogP-0.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.09
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 (3R,4S)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-3,4-dimethylpyrrolidine-2,5-dione (CID 642605) is (3R,4S)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-3,4-dimethylpyrrolidine-2,5-dione is C[C@@H]1C(=O)NC(=O)[C@@H]1C.
What is the InChIKey of (3R,4S)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is KKDOXQYWUITYNG-ZXZARUISSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-4(2)6(9)7-5(3)8/h3-4H,1-2H3,(H,7,8,9)/t3-,4+.
What are the key properties of (3R,4S)-3,4-dimethylpyrrolidine-2,5-dione?
(3R,4S)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 127.14 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 642605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).