3-Amino-1-methyl-1h-pyrrole-2,5-dione

C5H6N2O2 — CID 291294

IUPAC3-amino-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(C1=O)N
InChIInChI=1S/C5H6N2O2/c1-7-4(8)2-3(6)5(7)9/h2H,6H2,1H3
InChIKeyBUHSFNMBRJMUJL-UHFFFAOYSA-N
MW126.11 g/mol
LogP-1.00
Rot. Bonds

About 3-Amino-1-methyl-1h-pyrrole-2,5-dione

3-Amino-1-methyl-1h-pyrrole-2,5-dione (PubChem CID 291294) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 3-amino-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-Amino-1-methyl-1h-pyrrole-2,5-dione
PubChem CID291294
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name3-amino-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(C1=O)N
InChIInChI=1S/C5H6N2O2/c1-7-4(8)2-3(6)5(7)9/h2H,6H2,1H3
InChIKeyBUHSFNMBRJMUJL-UHFFFAOYSA-N
XLogP-1.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity207

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(methylamino)-1H-pyrrole-2,5-dione
CID 4512325
3-Aminopyrrole-2,5-dione
CID 21906897
3-(Methylamino)pyrrole-2,5-dione
CID 55300853
Dimethylaminomaleinimide
CID 129789350
N-Methyl propylaminomaleimide
CID 68150162
3-(Ethylamino)-1-methyl-1H-pyrrole-2,5-dione
CID 4512326
3,4-Diamino-1-methylpyrrole-2,5-dione
CID 22949784
2-(2,5-dioxopyrrol-1-yl)-N-methylprop-2-enamide
CID 59156916
CID 89829875
CID 89829875
2-(2,5-Dioxopyrrol-1-yl)prop-2-enamide
CID 89837128
3-(Tert-butylamino)-1-methylpyrrole-2,5-dione
CID 90305557
3-(Ethylamino)pyrrole-2,5-dione
CID 118024384

Frequently Asked Questions

What is the IUPAC name of 3-Amino-1-methyl-1h-pyrrole-2,5-dione?
The IUPAC name of 3-Amino-1-methyl-1h-pyrrole-2,5-dione (CID 291294) is 3-amino-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-Amino-1-methyl-1h-pyrrole-2,5-dione?
The canonical SMILES for 3-Amino-1-methyl-1h-pyrrole-2,5-dione is CN1C(=O)C=C(C1=O)N.
What is the InChIKey of 3-Amino-1-methyl-1h-pyrrole-2,5-dione?
The InChIKey is BUHSFNMBRJMUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-7-4(8)2-3(6)5(7)9/h2H,6H2,1H3.
What are the key properties of 3-Amino-1-methyl-1h-pyrrole-2,5-dione?
3-Amino-1-methyl-1h-pyrrole-2,5-dione has a molecular weight of 126.11 g/mol, XLogP of -1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Amino-1-methyl-1h-pyrrole-2,5-dione is sourced from PubChem (CID 291294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).