5-bromo-2-methyl-2,3-dihydropyran-6-one

C6H7BrO2 — CID 122376518

IUPAC5-bromo-2-methyl-2,3-dihydropyran-6-one
SMILESCC1CC=C(Br)C(=O)O1
InChIInChI=1S/C6H7BrO2/c1-4-2-3-5(7)6(8)9-4/h3-4H,2H2,1H3
InChIKeyGWAXGOJVEZXQDF-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.60
Rot. Bonds

About 5-bromo-2-methyl-2,3-dihydropyran-6-one

5-bromo-2-methyl-2,3-dihydropyran-6-one (PubChem CID 122376518) has the molecular formula C6H7BrO2 and a molecular weight of 191.02 g/mol. Its IUPAC name is 5-bromo-2-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name5-bromo-2-methyl-2,3-dihydropyran-6-one
PubChem CID122376518
Molecular FormulaC6H7BrO2
Molecular Weight191.02 g/mol
Exact Mass189.96
IUPAC Name5-bromo-2-methyl-2,3-dihydropyran-6-one
SMILESCC1CC=C(Br)C(=O)O1
InChIInChI=1S/C6H7BrO2/c1-4-2-3-5(7)6(8)9-4/h3-4H,2H2,1H3
InChIKeyGWAXGOJVEZXQDF-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-2,3-dihydropyran-6-one?
The IUPAC name of 5-bromo-2-methyl-2,3-dihydropyran-6-one (CID 122376518) is 5-bromo-2-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 5-bromo-2-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for 5-bromo-2-methyl-2,3-dihydropyran-6-one is CC1CC=C(Br)C(=O)O1.
What is the InChIKey of 5-bromo-2-methyl-2,3-dihydropyran-6-one?
The InChIKey is GWAXGOJVEZXQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO2/c1-4-2-3-5(7)6(8)9-4/h3-4H,2H2,1H3.
What are the key properties of 5-bromo-2-methyl-2,3-dihydropyran-6-one?
5-bromo-2-methyl-2,3-dihydropyran-6-one has a molecular weight of 191.02 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 122376518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).