1-ethyl-3-hydroxypyrrole-2,5-dione

C6H7NO3 — CID 66875867

IUPAC1-ethyl-3-hydroxypyrrole-2,5-dione
SMILESCCN1C(=O)C=C(O)C1=O
InChIInChI=1S/C6H7NO3/c1-2-7-5(9)3-4(8)6(7)10/h3,8H,2H2,1H3
InChIKeyFOVHSFCEJHMGOG-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.18
Rot. Bonds1

About 1-ethyl-3-hydroxypyrrole-2,5-dione

1-ethyl-3-hydroxypyrrole-2,5-dione (PubChem CID 66875867) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-ethyl-3-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-hydroxypyrrole-2,5-dione
PubChem CID66875867
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name1-ethyl-3-hydroxypyrrole-2,5-dione
SMILESCCN1C(=O)C=C(O)C1=O
InChIInChI=1S/C6H7NO3/c1-2-7-5(9)3-4(8)6(7)10/h3,8H,2H2,1H3
InChIKeyFOVHSFCEJHMGOG-UHFFFAOYSA-N
XLogP-0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.18
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-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-ethyl-3-hydroxypyrrole-2,5-dione (CID 66875867) is 1-ethyl-3-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-ethyl-3-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-ethyl-3-hydroxypyrrole-2,5-dione is CCN1C(=O)C=C(O)C1=O.
What is the InChIKey of 1-ethyl-3-hydroxypyrrole-2,5-dione?
The InChIKey is FOVHSFCEJHMGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-2-7-5(9)3-4(8)6(7)10/h3,8H,2H2,1H3.
What are the key properties of 1-ethyl-3-hydroxypyrrole-2,5-dione?
1-ethyl-3-hydroxypyrrole-2,5-dione has a molecular weight of 141.13 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 66875867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).