4-(2-bromoethenyl)oxolan-2-one

C6H7BrO2 — CID 134852967

IUPAC4-(2-bromoethenyl)oxolan-2-one
SMILESO=C1CC(C=CBr)CO1
InChIInChI=1S/C6H7BrO2/c7-2-1-5-3-6(8)9-4-5/h1-2,5H,3-4H2
InChIKeyHJRDMLYQSACXCN-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.46
Rot. Bonds1

About 4-(2-bromoethenyl)oxolan-2-one

4-(2-bromoethenyl)oxolan-2-one (PubChem CID 134852967) has the molecular formula C6H7BrO2 and a molecular weight of 191.02 g/mol. Its IUPAC name is 4-(2-bromoethenyl)oxolan-2-one.

Molecular Properties

Compound Name4-(2-bromoethenyl)oxolan-2-one
PubChem CID134852967
Molecular FormulaC6H7BrO2
Molecular Weight191.02 g/mol
Exact Mass189.96
IUPAC Name4-(2-bromoethenyl)oxolan-2-one
SMILESO=C1CC(C=CBr)CO1
InChIInChI=1S/C6H7BrO2/c7-2-1-5-3-6(8)9-4-5/h1-2,5H,3-4H2
InChIKeyHJRDMLYQSACXCN-UHFFFAOYSA-N
XLogP1.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-vinyl-dihydrofuran-2(3H)-one
CID 10866294
(S)-4-vinyl-dihydrofuran-2(3H)-one
CID 10975440
(R)-4-Vinyldihydrofuran-2(3H)-one
CID 12212143
Vinylbutyrolactone
CID 13205461
4-(1-Bromovinyl)dihydro-2(3H)-furanone
CID 117070523
4-Ethenyl-3-fluorooxolan-2-one
CID 117791671
(3R)-3-ethenyloxolan-2-one
CID 13205462
3-(2-bromoethyl)-3H-furan-2-one
CID 67325470
(3Z)-3-(bromomethylidene)-4-ethenyloxolan-2-one
CID 15074849
(4R)-4-(1-bromoethenyl)oxolan-2-one
CID 93948561
(4S)-4-(1-bromoethenyl)oxolan-2-one
CID 93948562
CID 177545649
CID 177545649

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethenyl)oxolan-2-one?
The IUPAC name of 4-(2-bromoethenyl)oxolan-2-one (CID 134852967) is 4-(2-bromoethenyl)oxolan-2-one.
What is the SMILES notation for 4-(2-bromoethenyl)oxolan-2-one?
The canonical SMILES for 4-(2-bromoethenyl)oxolan-2-one is O=C1CC(C=CBr)CO1.
What is the InChIKey of 4-(2-bromoethenyl)oxolan-2-one?
The InChIKey is HJRDMLYQSACXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO2/c7-2-1-5-3-6(8)9-4-5/h1-2,5H,3-4H2.
What are the key properties of 4-(2-bromoethenyl)oxolan-2-one?
4-(2-bromoethenyl)oxolan-2-one has a molecular weight of 191.02 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethenyl)oxolan-2-one is sourced from PubChem (CID 134852967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).