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

C6H7BrO2 — CID 15706623

IUPAC(5E)-5-(bromomethylidene)-3-methyloxolan-2-one
SMILESCC1C/C(=C\Br)OC1=O
InChIInChI=1S/C6H7BrO2/c1-4-2-5(3-7)9-6(4)8/h3-4H,2H2,1H3/b5-3+
InChIKeyOFPMKUHVQQKEKE-HWKANZROSA-N
MW191.02 g/mol
LogP1.81
Rot. Bonds

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

(5E)-5-(bromomethylidene)-3-methyloxolan-2-one (PubChem CID 15706623) has the molecular formula C6H7BrO2 and a molecular weight of 191.02 g/mol. Its IUPAC name is (5E)-5-(bromomethylidene)-3-methyloxolan-2-one.

Molecular Properties

Compound Name(5E)-5-(bromomethylidene)-3-methyloxolan-2-one
PubChem CID15706623
Molecular FormulaC6H7BrO2
Molecular Weight191.02 g/mol
Exact Mass189.96
IUPAC Name(5E)-5-(bromomethylidene)-3-methyloxolan-2-one
SMILESCC1C/C(=C\Br)OC1=O
InChIInChI=1S/C6H7BrO2/c1-4-2-5(3-7)9-6(4)8/h3-4H,2H2,1H3/b5-3+
InChIKeyOFPMKUHVQQKEKE-HWKANZROSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.81
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-methyloxolan-2-one?
The IUPAC name of (5E)-5-(bromomethylidene)-3-methyloxolan-2-one (CID 15706623) is (5E)-5-(bromomethylidene)-3-methyloxolan-2-one.
What is the SMILES notation for (5E)-5-(bromomethylidene)-3-methyloxolan-2-one?
The canonical SMILES for (5E)-5-(bromomethylidene)-3-methyloxolan-2-one is CC1C/C(=C\Br)OC1=O.
What is the InChIKey of (5E)-5-(bromomethylidene)-3-methyloxolan-2-one?
The InChIKey is OFPMKUHVQQKEKE-HWKANZROSA-N. The full InChI is InChI=1S/C6H7BrO2/c1-4-2-5(3-7)9-6(4)8/h3-4H,2H2,1H3/b5-3+.
What are the key properties of (5E)-5-(bromomethylidene)-3-methyloxolan-2-one?
(5E)-5-(bromomethylidene)-3-methyloxolan-2-one has a molecular weight of 191.02 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(bromomethylidene)-3-methyloxolan-2-one is sourced from PubChem (CID 15706623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).