1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione

C12H16N2O4 — CID 159762299

IUPAC1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)C=CC1=O.CCN1C(=O)CCC1=O
InChIInChI=1S/C6H9NO2.C6H7NO2/c2*1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3;3-4H,2H2,1H3
InChIKeyNFAXHIHBDUSJKR-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.09
Rot. Bonds2

About 1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione

1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione (PubChem CID 159762299) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione
PubChem CID159762299
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)C=CC1=O.CCN1C(=O)CCC1=O
InChIInChI=1S/C6H9NO2.C6H7NO2/c2*1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3;3-4H,2H2,1H3
InChIKeyNFAXHIHBDUSJKR-UHFFFAOYSA-N
XLogP0.09
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione (CID 159762299) is 1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione is CCN1C(=O)C=CC1=O.CCN1C(=O)CCC1=O.
What is the InChIKey of 1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione?
The InChIKey is NFAXHIHBDUSJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.C6H7NO2/c2*1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3;3-4H,2H2,1H3.
What are the key properties of 1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione?
1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrole-2,5-dione;1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 159762299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).