4-(bromomethylidene)-3-methyloxolan-2-one

C6H7BrO2 — CID 91107194

IUPAC4-(bromomethylidene)-3-methyloxolan-2-one
SMILESCC1C(=O)OCC1=CBr
InChIInChI=1S/C6H7BrO2/c1-4-5(2-7)3-9-6(4)8/h2,4H,3H2,1H3
InChIKeyWRSRBYLPTRCCRS-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.46
Rot. Bonds

About 4-(bromomethylidene)-3-methyloxolan-2-one

4-(bromomethylidene)-3-methyloxolan-2-one (PubChem CID 91107194) has the molecular formula C6H7BrO2 and a molecular weight of 191.02 g/mol. Its IUPAC name is 4-(bromomethylidene)-3-methyloxolan-2-one.

Molecular Properties

Compound Name4-(bromomethylidene)-3-methyloxolan-2-one
PubChem CID91107194
Molecular FormulaC6H7BrO2
Molecular Weight191.02 g/mol
Exact Mass189.96
IUPAC Name4-(bromomethylidene)-3-methyloxolan-2-one
SMILESCC1C(=O)OCC1=CBr
InChIInChI=1S/C6H7BrO2/c1-4-5(2-7)3-9-6(4)8/h2,4H,3H2,1H3
InChIKeyWRSRBYLPTRCCRS-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2(3H)-Furanone, dihydro-4-methyl-3-methylene-, (R)-
CID 11815838
(4S)-4-methyl-3-methylideneoxolan-2-one
CID 13291800
4-methyl-3-methylenedihydrofuran-2(3H)-one
CID 10844358
(3E)-4-(bromomethyl)-3-(bromomethylidene)oxolan-2-one
CID 10015934
3-Methyl-4-methylideneoxolan-2-one
CID 66610359
(3E)-3-(bromomethylidene)oxolan-2-one
CID 67759309
3-(Bromomethylidene)oxolan-2-one
CID 69791283
(4Z)-4-(bromomethylidene)oxolan-2-one
CID 174958555
4-(Bromomethylidene)oxolan-2-one
CID 175308920
(3Z)-3-(bromomethylidene)-4-ethenyloxolan-2-one
CID 15074849
(4S)-4-(bromomethyl)-3-methylideneoxolan-2-one
CID 101906644
(4R)-4-(bromomethyl)-3-methylideneoxolan-2-one
CID 101906645

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethylidene)-3-methyloxolan-2-one?
The IUPAC name of 4-(bromomethylidene)-3-methyloxolan-2-one (CID 91107194) is 4-(bromomethylidene)-3-methyloxolan-2-one.
What is the SMILES notation for 4-(bromomethylidene)-3-methyloxolan-2-one?
The canonical SMILES for 4-(bromomethylidene)-3-methyloxolan-2-one is CC1C(=O)OCC1=CBr.
What is the InChIKey of 4-(bromomethylidene)-3-methyloxolan-2-one?
The InChIKey is WRSRBYLPTRCCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO2/c1-4-5(2-7)3-9-6(4)8/h2,4H,3H2,1H3.
What are the key properties of 4-(bromomethylidene)-3-methyloxolan-2-one?
4-(bromomethylidene)-3-methyloxolan-2-one has a molecular weight of 191.02 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethylidene)-3-methyloxolan-2-one is sourced from PubChem (CID 91107194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).