(2S)-4-bromo-2-methyl-2H-furan-5-one

C5H5BrO2 — CID 11446649

IUPAC(2S)-4-bromo-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(Br)C(=O)O1
InChIInChI=1S/C5H5BrO2/c1-3-2-4(6)5(7)8-3/h2-3H,1H3/t3-/m0/s1
InChIKeyQBONKIWPMYSFGP-VKHMYHEASA-N
MW177.00 g/mol
LogP1.21
Rot. Bonds

About (2S)-4-bromo-2-methyl-2H-furan-5-one

(2S)-4-bromo-2-methyl-2H-furan-5-one (PubChem CID 11446649) has the molecular formula C5H5BrO2 and a molecular weight of 177.00 g/mol. Its IUPAC name is (2S)-4-bromo-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-bromo-2-methyl-2H-furan-5-one
PubChem CID11446649
Molecular FormulaC5H5BrO2
Molecular Weight177.00 g/mol
Exact Mass175.95
IUPAC Name(2S)-4-bromo-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(Br)C(=O)O1
InChIInChI=1S/C5H5BrO2/c1-3-2-4(6)5(7)8-3/h2-3H,1H3/t3-/m0/s1
InChIKeyQBONKIWPMYSFGP-VKHMYHEASA-N
XLogP1.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.00
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-2-pentenoic acid gamma-lactone
CID 11558
3-Bromo-5-methylfuran-2(5H)-one
CID 3018649
3-bromo-5,6-dihydro-2H-pyran-2-one
CID 10856029
(R)-5-methylfuran-2(5H)-one
CID 9548741
(S)-5-methylfuran-2(5H)-one
CID 9548740
4-bromo-5-methyl-2(5H)-furanone
CID 14708620
ethyl (E)-2-bromopent-2-enoate
CID 46211271
methyl (Z)-2-bromopent-2-enoate
CID 134901650
(2R)-4-fluoro-2-methyl-2H-furan-5-one
CID 142092257
4-fluoro-2-methyl-2H-furan-5-one
CID 173586831
5-(bromomethyl)furan-2(5H)-one
CID 12706681
(Z)-Ethyl 2-bromo-4-methylpent-2-enoate
CID 21575669

Frequently Asked Questions

What is the IUPAC name of (2S)-4-bromo-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-bromo-2-methyl-2H-furan-5-one (CID 11446649) is (2S)-4-bromo-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-bromo-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-bromo-2-methyl-2H-furan-5-one is C[C@H]1C=C(Br)C(=O)O1.
What is the InChIKey of (2S)-4-bromo-2-methyl-2H-furan-5-one?
The InChIKey is QBONKIWPMYSFGP-VKHMYHEASA-N. The full InChI is InChI=1S/C5H5BrO2/c1-3-2-4(6)5(7)8-3/h2-3H,1H3/t3-/m0/s1.
What are the key properties of (2S)-4-bromo-2-methyl-2H-furan-5-one?
(2S)-4-bromo-2-methyl-2H-furan-5-one has a molecular weight of 177.00 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-bromo-2-methyl-2H-furan-5-one is sourced from PubChem (CID 11446649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).