(3S)-3-ethylpyrrolidine-2,5-dione

C6H9NO2 — CID 12648192

IUPAC(3S)-3-ethylpyrrolidine-2,5-dione
SMILESCC[C@H]1CC(=O)NC1=O
InChIInChI=1S/C6H9NO2/c1-2-4-3-5(8)7-6(4)9/h4H,2-3H2,1H3,(H,7,8,9)/t4-/m0/s1
InChIKeyBHYLCQRRNWUVHE-BYPYZUCNSA-N
MW127.14 g/mol
LogP0.06
Rot. Bonds1

About (3S)-3-ethylpyrrolidine-2,5-dione

(3S)-3-ethylpyrrolidine-2,5-dione (PubChem CID 12648192) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3S)-3-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-ethylpyrrolidine-2,5-dione
PubChem CID12648192
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3S)-3-ethylpyrrolidine-2,5-dione
SMILESCC[C@H]1CC(=O)NC1=O
InChIInChI=1S/C6H9NO2/c1-2-4-3-5(8)7-6(4)9/h4H,2-3H2,1H3,(H,7,8,9)/t4-/m0/s1
InChIKeyBHYLCQRRNWUVHE-BYPYZUCNSA-N
XLogP0.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.06
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 (3S)-3-ethylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-ethylpyrrolidine-2,5-dione (CID 12648192) is (3S)-3-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-ethylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-ethylpyrrolidine-2,5-dione is CC[C@H]1CC(=O)NC1=O.
What is the InChIKey of (3S)-3-ethylpyrrolidine-2,5-dione?
The InChIKey is BHYLCQRRNWUVHE-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-4-3-5(8)7-6(4)9/h4H,2-3H2,1H3,(H,7,8,9)/t4-/m0/s1.
What are the key properties of (3S)-3-ethylpyrrolidine-2,5-dione?
(3S)-3-ethylpyrrolidine-2,5-dione has a molecular weight of 127.14 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 12648192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).