1-methyl-3-(methylamino)pyrrole-2,5-dione

C6H8N2O2 — CID 4512325

IUPAC1-methyl-3-(methylamino)pyrrole-2,5-dione
SMILESCNC1=CC(=O)N(C)C1=O
InChIInChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(4)10/h3,7H,1-2H3
InChIKeyKIKRBHWZESXXIH-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.91
Rot. Bonds1

About 1-methyl-3-(methylamino)pyrrole-2,5-dione

1-methyl-3-(methylamino)pyrrole-2,5-dione (PubChem CID 4512325) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(methylamino)pyrrole-2,5-dione
PubChem CID4512325
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-methyl-3-(methylamino)pyrrole-2,5-dione
SMILESCNC1=CC(=O)N(C)C1=O
InChIInChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(4)10/h3,7H,1-2H3
InChIKeyKIKRBHWZESXXIH-UHFFFAOYSA-N
XLogP-0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
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-methyl-3-(methylamino)pyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-(methylamino)pyrrole-2,5-dione (CID 4512325) is 1-methyl-3-(methylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-(methylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-(methylamino)pyrrole-2,5-dione is CNC1=CC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-(methylamino)pyrrole-2,5-dione?
The InChIKey is KIKRBHWZESXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(4)10/h3,7H,1-2H3.
What are the key properties of 1-methyl-3-(methylamino)pyrrole-2,5-dione?
1-methyl-3-(methylamino)pyrrole-2,5-dione has a molecular weight of 140.14 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)pyrrole-2,5-dione is sourced from PubChem (CID 4512325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).