1-phosphorosopyrrole-2,5-dione

C4H2NO3P — CID 130463981

IUPAC1-phosphorosopyrrole-2,5-dione
SMILESO=PN1C(=O)C=CC1=O
InChIInChI=1S/C4H2NO3P/c6-3-1-2-4(7)5(3)9-8/h1-2H
InChIKeyDZKWCBUMNVBHQZ-UHFFFAOYSA-N
MW143.04 g/mol
LogP0.12
Rot. Bonds1

About 1-phosphorosopyrrole-2,5-dione

1-phosphorosopyrrole-2,5-dione (PubChem CID 130463981) has the molecular formula C4H2NO3P and a molecular weight of 143.04 g/mol. Its IUPAC name is 1-phosphorosopyrrole-2,5-dione.

Molecular Properties

Compound Name1-phosphorosopyrrole-2,5-dione
PubChem CID130463981
Molecular FormulaC4H2NO3P
Molecular Weight143.04 g/mol
Exact Mass142.98
IUPAC Name1-phosphorosopyrrole-2,5-dione
SMILESO=PN1C(=O)C=CC1=O
InChIInChI=1S/C4H2NO3P/c6-3-1-2-4(7)5(3)9-8/h1-2H
InChIKeyDZKWCBUMNVBHQZ-UHFFFAOYSA-N
XLogP0.12
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.04
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione
CID 166780503
carbanide;1-ethylpyrrole-2,5-dione;manganese(2+)
CID 59116237
carbanide;1-ethylpyrrole-2,5-dione;scandium
CID 148988249
1-(2-phosphanylethyl)pyrrole-2,5-dione
CID 170722879
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione
CID 139543847
1-aminooxypyrrole-2,5-dione
CID 67427905
1-ethynylpyrrole-2,5-dione
CID 57020359
1-(methylidene-λ3-iodanyl)pyrrole-2,5-dione
CID 147460696
formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione
CID 165141180
diiodovanadium;1-methylpyrrole-2,5-dione
CID 162217566
1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione
CID 177002738
1-[1-[4-[1-(2,5-dioxopyrrol-1-yl)ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]pyrrole-2,5-dione
CID 69493446

Frequently Asked Questions

What is the IUPAC name of 1-phosphorosopyrrole-2,5-dione?
The IUPAC name of 1-phosphorosopyrrole-2,5-dione (CID 130463981) is 1-phosphorosopyrrole-2,5-dione.
What is the SMILES notation for 1-phosphorosopyrrole-2,5-dione?
The canonical SMILES for 1-phosphorosopyrrole-2,5-dione is O=PN1C(=O)C=CC1=O.
What is the InChIKey of 1-phosphorosopyrrole-2,5-dione?
The InChIKey is DZKWCBUMNVBHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2NO3P/c6-3-1-2-4(7)5(3)9-8/h1-2H.
What are the key properties of 1-phosphorosopyrrole-2,5-dione?
1-phosphorosopyrrole-2,5-dione has a molecular weight of 143.04 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosopyrrole-2,5-dione is sourced from PubChem (CID 130463981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).