(5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one

C14H15BrO2 — CID 11231708

IUPAC(5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one
SMILESO=C1O/C(=C/Br)CC1CCCc1ccccc1
InChIInChI=1S/C14H15BrO2/c15-10-13-9-12(14(16)17-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2/b13-10+
InChIKeyUFQVRXOABBVBQS-JLHYYAGUSA-N
MW295.18 g/mol
LogP3.81
Rot. Bonds4

About (5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one

(5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one (PubChem CID 11231708) has the molecular formula C14H15BrO2 and a molecular weight of 295.18 g/mol. Its IUPAC name is (5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one.

Molecular Properties

Compound Name(5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one
PubChem CID11231708
Molecular FormulaC14H15BrO2
Molecular Weight295.18 g/mol
Exact Mass294.03
IUPAC Name(5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one
SMILESO=C1O/C(=C/Br)CC1CCCc1ccccc1
InChIInChI=1S/C14H15BrO2/c15-10-13-9-12(14(16)17-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2/b13-10+
InChIKeyUFQVRXOABBVBQS-JLHYYAGUSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.81
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-(3-phenylpropyl)oxolan-2-one?
The IUPAC name of (5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one (CID 11231708) is (5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one.
What is the SMILES notation for (5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one?
The canonical SMILES for (5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one is O=C1O/C(=C/Br)CC1CCCc1ccccc1.
What is the InChIKey of (5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one?
The InChIKey is UFQVRXOABBVBQS-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H15BrO2/c15-10-13-9-12(14(16)17-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2/b13-10+.
What are the key properties of (5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one?
(5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one has a molecular weight of 295.18 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(bromomethylidene)-3-(3-phenylpropyl)oxolan-2-one is sourced from PubChem (CID 11231708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).