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

C11H14N2O4 — CID 161206653

IUPAC1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
SMILESCCN1C(=O)CCC1=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H9NO2.C5H5NO2/c1-2-7-5(8)3-4-6(7)9;1-6-4(7)2-3-5(6)8/h2-4H2,1H3;2-3H,1H3
InChIKeyUVRLUHTZNHKEDQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.30
Rot. Bonds1

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

1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione (PubChem CID 161206653) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
PubChem CID161206653
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
SMILESCCN1C(=O)CCC1=O.CN1C(=O)C=CC1=O
InChIInChI=1S/C6H9NO2.C5H5NO2/c1-2-7-5(8)3-4-6(7)9;1-6-4(7)2-3-5(6)8/h2-4H2,1H3;2-3H,1H3
InChIKeyUVRLUHTZNHKEDQ-UHFFFAOYSA-N
XLogP-0.30
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.30
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-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione?
The IUPAC name of 1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione (CID 161206653) is 1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione?
The canonical SMILES for 1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione is CCN1C(=O)CCC1=O.CN1C(=O)C=CC1=O.
What is the InChIKey of 1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione?
The InChIKey is UVRLUHTZNHKEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.C5H5NO2/c1-2-7-5(8)3-4-6(7)9;1-6-4(7)2-3-5(6)8/h2-4H2,1H3;2-3H,1H3.
What are the key properties of 1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione?
1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione has a molecular weight of 238.24 g/mol, XLogP of -0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione is sourced from PubChem (CID 161206653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).