(5Z)-5-(bromomethylidene)oxolan-2-one

C5H5BrO2 — CID 15706624

IUPAC(5Z)-5-(bromomethylidene)oxolan-2-one
SMILESO=C1CC/C(=C/Br)O1
InChIInChI=1S/C5H5BrO2/c6-3-4-1-2-5(7)8-4/h3H,1-2H2/b4-3-
InChIKeyRJKPOGXUGUMJET-ARJAWSKDSA-N
MW177.00 g/mol
LogP1.56
Rot. Bonds

About (5Z)-5-(bromomethylidene)oxolan-2-one

(5Z)-5-(bromomethylidene)oxolan-2-one (PubChem CID 15706624) has the molecular formula C5H5BrO2 and a molecular weight of 177.00 g/mol. Its IUPAC name is (5Z)-5-(bromomethylidene)oxolan-2-one.

Molecular Properties

Compound Name(5Z)-5-(bromomethylidene)oxolan-2-one
PubChem CID15706624
Molecular FormulaC5H5BrO2
Molecular Weight177.00 g/mol
Exact Mass175.95
IUPAC Name(5Z)-5-(bromomethylidene)oxolan-2-one
SMILESO=C1CC/C(=C/Br)O1
InChIInChI=1S/C5H5BrO2/c6-3-4-1-2-5(7)8-4/h3H,1-2H2/b4-3-
InChIKeyRJKPOGXUGUMJET-ARJAWSKDSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(bromomethylidene)oxolan-2-one?
The IUPAC name of (5Z)-5-(bromomethylidene)oxolan-2-one (CID 15706624) is (5Z)-5-(bromomethylidene)oxolan-2-one.
What is the SMILES notation for (5Z)-5-(bromomethylidene)oxolan-2-one?
The canonical SMILES for (5Z)-5-(bromomethylidene)oxolan-2-one is O=C1CC/C(=C/Br)O1.
What is the InChIKey of (5Z)-5-(bromomethylidene)oxolan-2-one?
The InChIKey is RJKPOGXUGUMJET-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H5BrO2/c6-3-4-1-2-5(7)8-4/h3H,1-2H2/b4-3-.
What are the key properties of (5Z)-5-(bromomethylidene)oxolan-2-one?
(5Z)-5-(bromomethylidene)oxolan-2-one has a molecular weight of 177.00 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(bromomethylidene)oxolan-2-one is sourced from PubChem (CID 15706624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).