1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione

C8H10BrNO3 — CID 77078224

IUPAC1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCBr
InChIInChI=1S/C8H10BrNO3/c9-3-5-13-6-4-10-7(11)1-2-8(10)12/h1-2H,3-6H2
InChIKeyRMLXDIKYASQPNE-UHFFFAOYSA-N
MW248.08 g/mol
LogP0.32
Rot. Bonds5

About 1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione

1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione (PubChem CID 77078224) has the molecular formula C8H10BrNO3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione
PubChem CID77078224
Molecular FormulaC8H10BrNO3
Molecular Weight248.08 g/mol
Exact Mass246.98
IUPAC Name1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCBr
InChIInChI=1S/C8H10BrNO3/c9-3-5-13-6-4-10-7(11)1-2-8(10)12/h1-2H,3-6H2
InChIKeyRMLXDIKYASQPNE-UHFFFAOYSA-N
XLogP0.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-[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-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 132917103
methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
CID 158080299
1-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 177233739
1-(2-but-3-enoxyethyl)pyrrole-2,5-dione
CID 106402479
1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione
CID 18417215
2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 13028612
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 139443419
1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 168985617
1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione
CID 54425649

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione (CID 77078224) is 1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCOCCBr.
What is the InChIKey of 1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione?
The InChIKey is RMLXDIKYASQPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3/c9-3-5-13-6-4-10-7(11)1-2-8(10)12/h1-2H,3-6H2.
What are the key properties of 1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione?
1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione has a molecular weight of 248.08 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 77078224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).