1-methoxy-3-methylpyrrole-2,5-dione

C6H7NO3 — CID 142001588

IUPAC1-methoxy-3-methylpyrrole-2,5-dione
SMILESCON1C(=O)C=C(C)C1=O
InChIInChI=1S/C6H7NO3/c1-4-3-5(8)7(10-2)6(4)9/h3H,1-2H3
InChIKeyRMRPJMPTQMNOEU-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.14
Rot. Bonds1

About 1-methoxy-3-methylpyrrole-2,5-dione

1-methoxy-3-methylpyrrole-2,5-dione (PubChem CID 142001588) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-methoxy-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-methoxy-3-methylpyrrole-2,5-dione
PubChem CID142001588
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name1-methoxy-3-methylpyrrole-2,5-dione
SMILESCON1C(=O)C=C(C)C1=O
InChIInChI=1S/C6H7NO3/c1-4-3-5(8)7(10-2)6(4)9/h3H,1-2H3
InChIKeyRMRPJMPTQMNOEU-UHFFFAOYSA-N
XLogP-0.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.14
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-methoxy-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-methoxy-3-methylpyrrole-2,5-dione (CID 142001588) is 1-methoxy-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-methoxy-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-methoxy-3-methylpyrrole-2,5-dione is CON1C(=O)C=C(C)C1=O.
What is the InChIKey of 1-methoxy-3-methylpyrrole-2,5-dione?
The InChIKey is RMRPJMPTQMNOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4-3-5(8)7(10-2)6(4)9/h3H,1-2H3.
What are the key properties of 1-methoxy-3-methylpyrrole-2,5-dione?
1-methoxy-3-methylpyrrole-2,5-dione has a molecular weight of 141.13 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 142001588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).