1-(2-phosphanylethyl)pyrrole-2,5-dione

C6H8NO2P — CID 170722879

IUPAC1-(2-phosphanylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCP
InChIInChI=1S/C6H8NO2P/c8-5-1-2-6(9)7(5)3-4-10/h1-2H,3-4,10H2
InChIKeyZIRXFDQEFNLQCL-UHFFFAOYSA-N
MW157.11 g/mol
LogP-0.21
Rot. Bonds2

About 1-(2-phosphanylethyl)pyrrole-2,5-dione

1-(2-phosphanylethyl)pyrrole-2,5-dione (PubChem CID 170722879) has the molecular formula C6H8NO2P and a molecular weight of 157.11 g/mol. Its IUPAC name is 1-(2-phosphanylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-phosphanylethyl)pyrrole-2,5-dione
PubChem CID170722879
Molecular FormulaC6H8NO2P
Molecular Weight157.11 g/mol
Exact Mass157.03
IUPAC Name1-(2-phosphanylethyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCP
InChIInChI=1S/C6H8NO2P/c8-5-1-2-6(9)7(5)3-4-10/h1-2H,3-4,10H2
InChIKeyZIRXFDQEFNLQCL-UHFFFAOYSA-N
XLogP-0.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione
CID 18417215
1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione
CID 77078224
1-butylpyrrole-2,5-dione;silane
CID 160820729
1-but-3-ynylpyrrole-2,5-dione
CID 58805075
carbanide;1-ethylpyrrole-2,5-dione;scandium
CID 148988249
carbanide;1-ethylpyrrole-2,5-dione;manganese(2+)
CID 59116237
1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 132917103
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334013
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
1-(5-iodopentyl)pyrrole-2,5-dione
CID 89213790

Frequently Asked Questions

What is the IUPAC name of 1-(2-phosphanylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-phosphanylethyl)pyrrole-2,5-dione (CID 170722879) is 1-(2-phosphanylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-phosphanylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-phosphanylethyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCP.
What is the InChIKey of 1-(2-phosphanylethyl)pyrrole-2,5-dione?
The InChIKey is ZIRXFDQEFNLQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO2P/c8-5-1-2-6(9)7(5)3-4-10/h1-2H,3-4,10H2.
What are the key properties of 1-(2-phosphanylethyl)pyrrole-2,5-dione?
1-(2-phosphanylethyl)pyrrole-2,5-dione has a molecular weight of 157.11 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phosphanylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 170722879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).