4-(1-bromoethenyl)oxolan-2-one

C6H7BrO2 — CID 117070523

IUPAC4-(1-bromoethenyl)oxolan-2-one
SMILESC=C(Br)C1COC(=O)C1
InChIInChI=1S/C6H7BrO2/c1-4(7)5-2-6(8)9-3-5/h5H,1-3H2
InChIKeyNSSWZTUSHBSMIG-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.46
Rot. Bonds1

About 4-(1-bromoethenyl)oxolan-2-one

4-(1-bromoethenyl)oxolan-2-one (PubChem CID 117070523) has the molecular formula C6H7BrO2 and a molecular weight of 191.02 g/mol. Its IUPAC name is 4-(1-bromoethenyl)oxolan-2-one.

Molecular Properties

Compound Name4-(1-bromoethenyl)oxolan-2-one
PubChem CID117070523
Molecular FormulaC6H7BrO2
Molecular Weight191.02 g/mol
Exact Mass189.96
IUPAC Name4-(1-bromoethenyl)oxolan-2-one
SMILESC=C(Br)C1COC(=O)C1
InChIInChI=1S/C6H7BrO2/c1-4(7)5-2-6(8)9-3-5/h5H,1-3H2
InChIKeyNSSWZTUSHBSMIG-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-(2-Bromoethenyl)oxolan-2-one
CID 134852967
3-(3-Bromoprop-1-en-2-yl)oxolan-2-one
CID 139503612
(4R)-4-(1-bromoethenyl)oxolan-2-one
CID 93948561
(4S)-4-(1-bromoethenyl)oxolan-2-one
CID 93948562

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethenyl)oxolan-2-one?
The IUPAC name of 4-(1-bromoethenyl)oxolan-2-one (CID 117070523) is 4-(1-bromoethenyl)oxolan-2-one.
What is the SMILES notation for 4-(1-bromoethenyl)oxolan-2-one?
The canonical SMILES for 4-(1-bromoethenyl)oxolan-2-one is C=C(Br)C1COC(=O)C1.
What is the InChIKey of 4-(1-bromoethenyl)oxolan-2-one?
The InChIKey is NSSWZTUSHBSMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO2/c1-4(7)5-2-6(8)9-3-5/h5H,1-3H2.
What are the key properties of 4-(1-bromoethenyl)oxolan-2-one?
4-(1-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-(1-bromoethenyl)oxolan-2-one is sourced from PubChem (CID 117070523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).