3-ethylpyrrole-2,5-dione;2-methylprop-1-ene

C10H15NO2 — CID 18504405

IUPAC3-ethylpyrrole-2,5-dione;2-methylprop-1-ene
SMILESC=C(C)C.CCC1=CC(=O)NC1=O
InChIInChI=1S/C6H7NO2.C4H8/c1-2-4-3-5(8)7-6(4)9;1-4(2)3/h3H,2H2,1H3,(H,7,8,9);1H2,2-3H3
InChIKeyWAPPBQVYSLEFKP-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.56
Rot. Bonds1

About 3-ethylpyrrole-2,5-dione;2-methylprop-1-ene

3-ethylpyrrole-2,5-dione;2-methylprop-1-ene (PubChem CID 18504405) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-ethylpyrrole-2,5-dione;2-methylprop-1-ene.

Molecular Properties

Compound Name3-ethylpyrrole-2,5-dione;2-methylprop-1-ene
PubChem CID18504405
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-ethylpyrrole-2,5-dione;2-methylprop-1-ene
SMILESC=C(C)C.CCC1=CC(=O)NC1=O
InChIInChI=1S/C6H7NO2.C4H8/c1-2-4-3-5(8)7-6(4)9;1-4(2)3/h3H,2H2,1H3,(H,7,8,9);1H2,2-3H3
InChIKeyWAPPBQVYSLEFKP-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpyrrole-2,5-dione;2-methylprop-1-ene?
The IUPAC name of 3-ethylpyrrole-2,5-dione;2-methylprop-1-ene (CID 18504405) is 3-ethylpyrrole-2,5-dione;2-methylprop-1-ene.
What is the SMILES notation for 3-ethylpyrrole-2,5-dione;2-methylprop-1-ene?
The canonical SMILES for 3-ethylpyrrole-2,5-dione;2-methylprop-1-ene is C=C(C)C.CCC1=CC(=O)NC1=O.
What is the InChIKey of 3-ethylpyrrole-2,5-dione;2-methylprop-1-ene?
The InChIKey is WAPPBQVYSLEFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C4H8/c1-2-4-3-5(8)7-6(4)9;1-4(2)3/h3H,2H2,1H3,(H,7,8,9);1H2,2-3H3.
What are the key properties of 3-ethylpyrrole-2,5-dione;2-methylprop-1-ene?
3-ethylpyrrole-2,5-dione;2-methylprop-1-ene has a molecular weight of 181.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpyrrole-2,5-dione;2-methylprop-1-ene is sourced from PubChem (CID 18504405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).