1-oxidopyrrolidin-1-ium-2,5-dione

C4H5NO3 — CID 18544939

IUPAC1-oxidopyrrolidin-1-ium-2,5-dione
SMILESO=C1CCC(=O)[NH+]1[O-]
InChIInChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h5H,1-2H2
InChIKeyDODAHHOFXHRMQT-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.78
Rot. Bonds

About 1-oxidopyrrolidin-1-ium-2,5-dione

1-oxidopyrrolidin-1-ium-2,5-dione (PubChem CID 18544939) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 1-oxidopyrrolidin-1-ium-2,5-dione.

Molecular Properties

Compound Name1-oxidopyrrolidin-1-ium-2,5-dione
PubChem CID18544939
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name1-oxidopyrrolidin-1-ium-2,5-dione
SMILESO=C1CCC(=O)[NH+]1[O-]
InChIInChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h5H,1-2H2
InChIKeyDODAHHOFXHRMQT-UHFFFAOYSA-N
XLogP-1.78
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.78
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-oxidopyrrolidin-1-ium-2,5-dione?
The IUPAC name of 1-oxidopyrrolidin-1-ium-2,5-dione (CID 18544939) is 1-oxidopyrrolidin-1-ium-2,5-dione.
What is the SMILES notation for 1-oxidopyrrolidin-1-ium-2,5-dione?
The canonical SMILES for 1-oxidopyrrolidin-1-ium-2,5-dione is O=C1CCC(=O)[NH+]1[O-].
What is the InChIKey of 1-oxidopyrrolidin-1-ium-2,5-dione?
The InChIKey is DODAHHOFXHRMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h5H,1-2H2.
What are the key properties of 1-oxidopyrrolidin-1-ium-2,5-dione?
1-oxidopyrrolidin-1-ium-2,5-dione has a molecular weight of 115.09 g/mol, XLogP of -1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyrrolidin-1-ium-2,5-dione is sourced from PubChem (CID 18544939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).