1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione

C7H5Br2NO2 — CID 87428853

IUPAC1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C/C(Br)=C/Br
InChIInChI=1S/C7H5Br2NO2/c8-3-5(9)4-10-6(11)1-2-7(10)12/h1-3H,4H2/b5-3-
InChIKeyGJBBFBXGPIKEGC-HYXAFXHYSA-N
MW294.93 g/mol
LogP1.54
Rot. Bonds2

About 1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione

1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione (PubChem CID 87428853) has the molecular formula C7H5Br2NO2 and a molecular weight of 294.93 g/mol. Its IUPAC name is 1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione
PubChem CID87428853
Molecular FormulaC7H5Br2NO2
Molecular Weight294.93 g/mol
Exact Mass292.87
IUPAC Name1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C/C(Br)=C/Br
InChIInChI=1S/C7H5Br2NO2/c8-3-5(9)4-10-6(11)1-2-7(10)12/h1-3H,4H2/b5-3-
InChIKeyGJBBFBXGPIKEGC-HYXAFXHYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.93
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione (CID 87428853) is 1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C/C(Br)=C/Br.
What is the InChIKey of 1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione?
The InChIKey is GJBBFBXGPIKEGC-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H5Br2NO2/c8-3-5(9)4-10-6(11)1-2-7(10)12/h1-3H,4H2/b5-3-.
What are the key properties of 1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione?
1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione has a molecular weight of 294.93 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2,3-dibromoprop-2-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 87428853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).