(3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione

C7H11NO2 — CID 5325754

IUPAC(3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(C)C(=O)[C@H]1C
InChIInChI=1S/C7H11NO2/c1-4-5(2)7(10)8(3)6(4)9/h4-5H,1-3H3/t4-,5-/m0/s1
InChIKeyQWAXPPSBSBVTPN-WHFBIAKZSA-N
MW141.17 g/mol
LogP0.26
Rot. Bonds

About (3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione

(3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione (PubChem CID 5325754) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione
PubChem CID5325754
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(C)C(=O)[C@H]1C
InChIInChI=1S/C7H11NO2/c1-4-5(2)7(10)8(3)6(4)9/h4-5H,1-3H3/t4-,5-/m0/s1
InChIKeyQWAXPPSBSBVTPN-WHFBIAKZSA-N
XLogP0.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.26
H-Bond Donors ≤ 50
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 (3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione?
The IUPAC name of (3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione (CID 5325754) is (3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione?
The canonical SMILES for (3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione is C[C@@H]1C(=O)N(C)C(=O)[C@H]1C.
What is the InChIKey of (3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione?
The InChIKey is QWAXPPSBSBVTPN-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-5(2)7(10)8(3)6(4)9/h4-5H,1-3H3/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione?
(3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione has a molecular weight of 141.17 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,3,4-trimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 5325754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).