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

C6H8N2O2 — CID 118024384

IUPAC3-(ethylamino)pyrrole-2,5-dione
SMILESCCNC1=CC(=O)NC1=O
InChIInChI=1S/C6H8N2O2/c1-2-7-4-3-5(9)8-6(4)10/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyQNFULZMACOQXQQ-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.86
Rot. Bonds2

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

3-(ethylamino)pyrrole-2,5-dione (PubChem CID 118024384) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-(ethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(ethylamino)pyrrole-2,5-dione
PubChem CID118024384
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-(ethylamino)pyrrole-2,5-dione
SMILESCCNC1=CC(=O)NC1=O
InChIInChI=1S/C6H8N2O2/c1-2-7-4-3-5(9)8-6(4)10/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyQNFULZMACOQXQQ-UHFFFAOYSA-N
XLogP-0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
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 3-(ethylamino)pyrrole-2,5-dione?
The IUPAC name of 3-(ethylamino)pyrrole-2,5-dione (CID 118024384) is 3-(ethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(ethylamino)pyrrole-2,5-dione?
The canonical SMILES for 3-(ethylamino)pyrrole-2,5-dione is CCNC1=CC(=O)NC1=O.
What is the InChIKey of 3-(ethylamino)pyrrole-2,5-dione?
The InChIKey is QNFULZMACOQXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-7-4-3-5(9)8-6(4)10/h3H,2H2,1H3,(H2,7,8,9,10).
What are the key properties of 3-(ethylamino)pyrrole-2,5-dione?
3-(ethylamino)pyrrole-2,5-dione has a molecular weight of 140.14 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 118024384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).