1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione

C8H11NO3 — CID 43346041

IUPAC1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione
SMILESCOCCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C8H11NO3/c1-6-5-7(10)9(8(6)11)3-4-12-2/h5H,3-4H2,1-2H3
InChIKeyNIDXASGUVNLEKI-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.05
Rot. Bonds3

About 1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione

1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione (PubChem CID 43346041) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione
PubChem CID43346041
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione
SMILESCOCCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C8H11NO3/c1-6-5-7(10)9(8(6)11)3-4-12-2/h5H,3-4H2,1-2H3
InChIKeyNIDXASGUVNLEKI-UHFFFAOYSA-N
XLogP-0.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.05
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 1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione (CID 43346041) is 1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione is COCCN1C(=O)C=C(C)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione?
The InChIKey is NIDXASGUVNLEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-5-7(10)9(8(6)11)3-4-12-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione?
1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 43346041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).