3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione

C10H13NO3 — CID 66799674

IUPAC3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione
SMILESCCC1=CC(=O)N(C(=O)C(C)C)C1=O
InChIInChI=1S/C10H13NO3/c1-4-7-5-8(12)11(10(7)14)9(13)6(2)3/h5-6H,4H2,1-3H3
InChIKeyDQMODODRXQDPOF-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.87
Rot. Bonds2

About 3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione

3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione (PubChem CID 66799674) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione
PubChem CID66799674
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione
SMILESCCC1=CC(=O)N(C(=O)C(C)C)C1=O
InChIInChI=1S/C10H13NO3/c1-4-7-5-8(12)11(10(7)14)9(13)6(2)3/h5-6H,4H2,1-3H3
InChIKeyDQMODODRXQDPOF-UHFFFAOYSA-N
XLogP0.87
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione?
The IUPAC name of 3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione (CID 66799674) is 3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione?
The canonical SMILES for 3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione is CCC1=CC(=O)N(C(=O)C(C)C)C1=O.
What is the InChIKey of 3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione?
The InChIKey is DQMODODRXQDPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-7-5-8(12)11(10(7)14)9(13)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione?
3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione has a molecular weight of 195.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione is sourced from PubChem (CID 66799674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).