(5E)-5-(bromomethylidene)-3-phenyloxolan-2-one

C11H9BrO2 — CID 10422367

IUPAC(5E)-5-(bromomethylidene)-3-phenyloxolan-2-one
SMILESO=C1O/C(=C/Br)CC1c1ccccc1
InChIInChI=1S/C11H9BrO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7+
InChIKeyCSSUBLBHWCCATP-VQHVLOKHSA-N
MW253.09 g/mol
LogP2.95
Rot. Bonds1

About (5E)-5-(bromomethylidene)-3-phenyloxolan-2-one

(5E)-5-(bromomethylidene)-3-phenyloxolan-2-one (PubChem CID 10422367) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is (5E)-5-(bromomethylidene)-3-phenyloxolan-2-one.

Molecular Properties

Compound Name(5E)-5-(bromomethylidene)-3-phenyloxolan-2-one
PubChem CID10422367
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name(5E)-5-(bromomethylidene)-3-phenyloxolan-2-one
SMILESO=C1O/C(=C/Br)CC1c1ccccc1
InChIInChI=1S/C11H9BrO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7+
InChIKeyCSSUBLBHWCCATP-VQHVLOKHSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(bromomethylidene)-3-phenyloxolan-2-one?
The IUPAC name of (5E)-5-(bromomethylidene)-3-phenyloxolan-2-one (CID 10422367) is (5E)-5-(bromomethylidene)-3-phenyloxolan-2-one.
What is the SMILES notation for (5E)-5-(bromomethylidene)-3-phenyloxolan-2-one?
The canonical SMILES for (5E)-5-(bromomethylidene)-3-phenyloxolan-2-one is O=C1O/C(=C/Br)CC1c1ccccc1.
What is the InChIKey of (5E)-5-(bromomethylidene)-3-phenyloxolan-2-one?
The InChIKey is CSSUBLBHWCCATP-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H9BrO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7+.
What are the key properties of (5E)-5-(bromomethylidene)-3-phenyloxolan-2-one?
(5E)-5-(bromomethylidene)-3-phenyloxolan-2-one has a molecular weight of 253.09 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(bromomethylidene)-3-phenyloxolan-2-one is sourced from PubChem (CID 10422367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).