6-(bromomethylidene)oxan-2-one

C6H7BrO2 — CID 54026732

IUPAC6-(bromomethylidene)oxan-2-one
SMILESO=C1CCCC(=CBr)O1
InChIInChI=1S/C6H7BrO2/c7-4-5-2-1-3-6(8)9-5/h4H,1-3H2
InChIKeyLCRYFNQWSFRVCH-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.95
Rot. Bonds

About 6-(bromomethylidene)oxan-2-one

6-(bromomethylidene)oxan-2-one (PubChem CID 54026732) has the molecular formula C6H7BrO2 and a molecular weight of 191.02 g/mol. Its IUPAC name is 6-(bromomethylidene)oxan-2-one.

Molecular Properties

Compound Name6-(bromomethylidene)oxan-2-one
PubChem CID54026732
Molecular FormulaC6H7BrO2
Molecular Weight191.02 g/mol
Exact Mass189.96
IUPAC Name6-(bromomethylidene)oxan-2-one
SMILESO=C1CCCC(=CBr)O1
InChIInChI=1S/C6H7BrO2/c7-4-5-2-1-3-6(8)9-5/h4H,1-3H2
InChIKeyLCRYFNQWSFRVCH-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-6-(Bromomethylene)tetrahydro-2H-pyran-2-one
CID 15706621
Tetrahydro-6-methylene-2H-pyran-2-one
CID 11593436
(6E)-6-(bromomethylidene)-4-methyloxan-2-one
CID 10375663
(6Z)-6-(bromomethylidene)oxan-2-one
CID 15706620
4-Fluoro-6-methylideneoxan-2-one
CID 165100382

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethylidene)oxan-2-one?
The IUPAC name of 6-(bromomethylidene)oxan-2-one (CID 54026732) is 6-(bromomethylidene)oxan-2-one.
What is the SMILES notation for 6-(bromomethylidene)oxan-2-one?
The canonical SMILES for 6-(bromomethylidene)oxan-2-one is O=C1CCCC(=CBr)O1.
What is the InChIKey of 6-(bromomethylidene)oxan-2-one?
The InChIKey is LCRYFNQWSFRVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO2/c7-4-5-2-1-3-6(8)9-5/h4H,1-3H2.
What are the key properties of 6-(bromomethylidene)oxan-2-one?
6-(bromomethylidene)oxan-2-one has a molecular weight of 191.02 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethylidene)oxan-2-one is sourced from PubChem (CID 54026732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).