(5E)-5-(1-bromoethylidene)furan-2-one

C6H5BrO2 — CID 143962101

IUPAC(5E)-5-(1-bromoethylidene)furan-2-one
SMILESC/C(Br)=C1/C=CC(=O)O1
InChIInChI=1S/C6H5BrO2/c1-4(7)5-2-3-6(8)9-5/h2-3H,1H3/b5-4+
InChIKeyMYOJEXBRCGFCOU-SNAWJCMRSA-N
MW189.01 g/mol
LogP1.73
Rot. Bonds

About (5E)-5-(1-bromoethylidene)furan-2-one

(5E)-5-(1-bromoethylidene)furan-2-one (PubChem CID 143962101) has the molecular formula C6H5BrO2 and a molecular weight of 189.01 g/mol. Its IUPAC name is (5E)-5-(1-bromoethylidene)furan-2-one.

Molecular Properties

Compound Name(5E)-5-(1-bromoethylidene)furan-2-one
PubChem CID143962101
Molecular FormulaC6H5BrO2
Molecular Weight189.01 g/mol
Exact Mass187.95
IUPAC Name(5E)-5-(1-bromoethylidene)furan-2-one
SMILESC/C(Br)=C1/C=CC(=O)O1
InChIInChI=1S/C6H5BrO2/c1-4(7)5-2-3-6(8)9-5/h2-3H,1H3/b5-4+
InChIKeyMYOJEXBRCGFCOU-SNAWJCMRSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-bromoethylidene)furan-2-one?
The IUPAC name of (5E)-5-(1-bromoethylidene)furan-2-one (CID 143962101) is (5E)-5-(1-bromoethylidene)furan-2-one.
What is the SMILES notation for (5E)-5-(1-bromoethylidene)furan-2-one?
The canonical SMILES for (5E)-5-(1-bromoethylidene)furan-2-one is C/C(Br)=C1/C=CC(=O)O1.
What is the InChIKey of (5E)-5-(1-bromoethylidene)furan-2-one?
The InChIKey is MYOJEXBRCGFCOU-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H5BrO2/c1-4(7)5-2-3-6(8)9-5/h2-3H,1H3/b5-4+.
What are the key properties of (5E)-5-(1-bromoethylidene)furan-2-one?
(5E)-5-(1-bromoethylidene)furan-2-one has a molecular weight of 189.01 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(1-bromoethylidene)furan-2-one is sourced from PubChem (CID 143962101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).