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

C5H6N2O2 — CID 55300853

IUPAC3-(methylamino)pyrrole-2,5-dione
SMILESCNC1=CC(=O)NC1=O
InChIInChI=1S/C5H6N2O2/c1-6-3-2-4(8)7-5(3)9/h2H,1H3,(H2,6,7,8,9)
InChIKeyQBIHKTYASZEKGS-UHFFFAOYSA-N
MW126.11 g/mol
LogP-1.25
Rot. Bonds1

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

3-(methylamino)pyrrole-2,5-dione (PubChem CID 55300853) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 3-(methylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(methylamino)pyrrole-2,5-dione
PubChem CID55300853
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name3-(methylamino)pyrrole-2,5-dione
SMILESCNC1=CC(=O)NC1=O
InChIInChI=1S/C5H6N2O2/c1-6-3-2-4(8)7-5(3)9/h2H,1H3,(H2,6,7,8,9)
InChIKeyQBIHKTYASZEKGS-UHFFFAOYSA-N
XLogP-1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-1-methyl-1h-pyrrole-2,5-dione
CID 291294
1-methyl-3-(methylamino)-1H-pyrrole-2,5-dione
CID 4512325
(Z)-2-acetamido-N-methylbut-2-enamide
CID 15337749
3-Aminopyrrole-2,5-dione
CID 21906897
Dimethylaminomaleinimide
CID 129789350
Propylaminomaleimide
CID 66927264
N-Methyl propylaminomaleimide
CID 68150162
1-Butyl-3-(butylamino)-1H-pyrrole-2,5-dione
CID 4512565
(E)-2-acetamidobut-2-enamide
CID 22002732
3-Amino-1,5-dihydro-2h-pyrrol-2-one
CID 129833999
3-(Ethylamino)-1-methyl-1H-pyrrole-2,5-dione
CID 4512326
3-(Butylamino)-1-methylpyrrole-2,5-dione
CID 4512328

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)pyrrole-2,5-dione?
The IUPAC name of 3-(methylamino)pyrrole-2,5-dione (CID 55300853) is 3-(methylamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(methylamino)pyrrole-2,5-dione?
The canonical SMILES for 3-(methylamino)pyrrole-2,5-dione is CNC1=CC(=O)NC1=O.
What is the InChIKey of 3-(methylamino)pyrrole-2,5-dione?
The InChIKey is QBIHKTYASZEKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-6-3-2-4(8)7-5(3)9/h2H,1H3,(H2,6,7,8,9).
What are the key properties of 3-(methylamino)pyrrole-2,5-dione?
3-(methylamino)pyrrole-2,5-dione has a molecular weight of 126.11 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)pyrrole-2,5-dione is sourced from PubChem (CID 55300853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).