5-(dibromomethylidene)oxolan-2-one

C5H4Br2O2 — CID 58369812

IUPAC5-(dibromomethylidene)oxolan-2-one
SMILESO=C1CCC(=C(Br)Br)O1
InChIInChI=1S/C5H4Br2O2/c6-5(7)3-1-2-4(8)9-3/h1-2H2
InChIKeyVQAARLRKABNCHM-UHFFFAOYSA-N
MW255.89 g/mol
LogP2.28
Rot. Bonds

About 5-(dibromomethylidene)oxolan-2-one

5-(dibromomethylidene)oxolan-2-one (PubChem CID 58369812) has the molecular formula C5H4Br2O2 and a molecular weight of 255.89 g/mol. Its IUPAC name is 5-(dibromomethylidene)oxolan-2-one.

Molecular Properties

Compound Name5-(dibromomethylidene)oxolan-2-one
PubChem CID58369812
Molecular FormulaC5H4Br2O2
Molecular Weight255.89 g/mol
Exact Mass253.86
IUPAC Name5-(dibromomethylidene)oxolan-2-one
SMILESO=C1CCC(=C(Br)Br)O1
InChIInChI=1S/C5H4Br2O2/c6-5(7)3-1-2-4(8)9-3/h1-2H2
InChIKeyVQAARLRKABNCHM-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.89
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dibromomethylidene)oxolan-2-one?
The IUPAC name of 5-(dibromomethylidene)oxolan-2-one (CID 58369812) is 5-(dibromomethylidene)oxolan-2-one.
What is the SMILES notation for 5-(dibromomethylidene)oxolan-2-one?
The canonical SMILES for 5-(dibromomethylidene)oxolan-2-one is O=C1CCC(=C(Br)Br)O1.
What is the InChIKey of 5-(dibromomethylidene)oxolan-2-one?
The InChIKey is VQAARLRKABNCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2O2/c6-5(7)3-1-2-4(8)9-3/h1-2H2.
What are the key properties of 5-(dibromomethylidene)oxolan-2-one?
5-(dibromomethylidene)oxolan-2-one has a molecular weight of 255.89 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibromomethylidene)oxolan-2-one is sourced from PubChem (CID 58369812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).