(5Z)-5-(2-bromoethylidene)furan-2-one

C6H5BrO2 — CID 10888715

IUPAC(5Z)-5-(2-bromoethylidene)furan-2-one
SMILESO=C1C=C/C(=C/CBr)O1
InChIInChI=1S/C6H5BrO2/c7-4-3-5-1-2-6(8)9-5/h1-3H,4H2/b5-3-
InChIKeyXRNRFQOUKLSDLC-HYXAFXHYSA-N
MW189.01 g/mol
LogP1.38
Rot. Bonds1

About (5Z)-5-(2-bromoethylidene)furan-2-one

(5Z)-5-(2-bromoethylidene)furan-2-one (PubChem CID 10888715) has the molecular formula C6H5BrO2 and a molecular weight of 189.01 g/mol. Its IUPAC name is (5Z)-5-(2-bromoethylidene)furan-2-one.

Molecular Properties

Compound Name(5Z)-5-(2-bromoethylidene)furan-2-one
PubChem CID10888715
Molecular FormulaC6H5BrO2
Molecular Weight189.01 g/mol
Exact Mass187.95
IUPAC Name(5Z)-5-(2-bromoethylidene)furan-2-one
SMILESO=C1C=C/C(=C/CBr)O1
InChIInChI=1S/C6H5BrO2/c7-4-3-5-1-2-6(8)9-5/h1-3H,4H2/b5-3-
InChIKeyXRNRFQOUKLSDLC-HYXAFXHYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2-bromoethylidene)furan-2-one?
The IUPAC name of (5Z)-5-(2-bromoethylidene)furan-2-one (CID 10888715) is (5Z)-5-(2-bromoethylidene)furan-2-one.
What is the SMILES notation for (5Z)-5-(2-bromoethylidene)furan-2-one?
The canonical SMILES for (5Z)-5-(2-bromoethylidene)furan-2-one is O=C1C=C/C(=C/CBr)O1.
What is the InChIKey of (5Z)-5-(2-bromoethylidene)furan-2-one?
The InChIKey is XRNRFQOUKLSDLC-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H5BrO2/c7-4-3-5-1-2-6(8)9-5/h1-3H,4H2/b5-3-.
What are the key properties of (5Z)-5-(2-bromoethylidene)furan-2-one?
(5Z)-5-(2-bromoethylidene)furan-2-one has a molecular weight of 189.01 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2-bromoethylidene)furan-2-one is sourced from PubChem (CID 10888715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).