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

C8H12N2O2 — CID 4512332

IUPAC1-ethyl-3-(ethylamino)pyrrole-2,5-dione
SMILESCCNC1=CC(=O)N(CC)C1=O
InChIInChI=1S/C8H12N2O2/c1-3-9-6-5-7(11)10(4-2)8(6)12/h5,9H,3-4H2,1-2H3
InChIKeyHFINMUUUZXMTLZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.13
Rot. Bonds3

About 1-ethyl-3-(ethylamino)pyrrole-2,5-dione

1-ethyl-3-(ethylamino)pyrrole-2,5-dione (PubChem CID 4512332) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-ethyl-3-(ethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(ethylamino)pyrrole-2,5-dione
PubChem CID4512332
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-ethyl-3-(ethylamino)pyrrole-2,5-dione
SMILESCCNC1=CC(=O)N(CC)C1=O
InChIInChI=1S/C8H12N2O2/c1-3-9-6-5-7(11)10(4-2)8(6)12/h5,9H,3-4H2,1-2H3
InChIKeyHFINMUUUZXMTLZ-UHFFFAOYSA-N
XLogP-0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.13
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-ethyl-3-(ethylamino)pyrrole-2,5-dione?
The IUPAC name of 1-ethyl-3-(ethylamino)pyrrole-2,5-dione (CID 4512332) is 1-ethyl-3-(ethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(ethylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-ethyl-3-(ethylamino)pyrrole-2,5-dione is CCNC1=CC(=O)N(CC)C1=O.
What is the InChIKey of 1-ethyl-3-(ethylamino)pyrrole-2,5-dione?
The InChIKey is HFINMUUUZXMTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-9-6-5-7(11)10(4-2)8(6)12/h5,9H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-(ethylamino)pyrrole-2,5-dione?
1-ethyl-3-(ethylamino)pyrrole-2,5-dione has a molecular weight of 168.20 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(ethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 4512332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).