4-(bromomethylidene)oxolan-2-one

C5H5BrO2 — CID 175308920

IUPAC4-(bromomethylidene)oxolan-2-one
SMILESO=C1CC(=CBr)CO1
InChIInChI=1S/C5H5BrO2/c6-2-4-1-5(7)8-3-4/h2H,1,3H2
InChIKeyJBSYAXGDYFALHF-UHFFFAOYSA-N
MW177.00 g/mol
LogP1.21
Rot. Bonds

About 4-(bromomethylidene)oxolan-2-one

4-(bromomethylidene)oxolan-2-one (PubChem CID 175308920) has the molecular formula C5H5BrO2 and a molecular weight of 177.00 g/mol. Its IUPAC name is 4-(bromomethylidene)oxolan-2-one.

Molecular Properties

Compound Name4-(bromomethylidene)oxolan-2-one
PubChem CID175308920
Molecular FormulaC5H5BrO2
Molecular Weight177.00 g/mol
Exact Mass175.95
IUPAC Name4-(bromomethylidene)oxolan-2-one
SMILESO=C1CC(=CBr)CO1
InChIInChI=1S/C5H5BrO2/c6-2-4-1-5(7)8-3-4/h2H,1,3H2
InChIKeyJBSYAXGDYFALHF-UHFFFAOYSA-N
XLogP1.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.00
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethylidene)oxolan-2-one?
The IUPAC name of 4-(bromomethylidene)oxolan-2-one (CID 175308920) is 4-(bromomethylidene)oxolan-2-one.
What is the SMILES notation for 4-(bromomethylidene)oxolan-2-one?
The canonical SMILES for 4-(bromomethylidene)oxolan-2-one is O=C1CC(=CBr)CO1.
What is the InChIKey of 4-(bromomethylidene)oxolan-2-one?
The InChIKey is JBSYAXGDYFALHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrO2/c6-2-4-1-5(7)8-3-4/h2H,1,3H2.
What are the key properties of 4-(bromomethylidene)oxolan-2-one?
4-(bromomethylidene)oxolan-2-one has a molecular weight of 177.00 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethylidene)oxolan-2-one is sourced from PubChem (CID 175308920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).