3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one

C7H6Br2O2 — CID 56836438

IUPAC3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one
SMILESC/C(Br)=C/C1OC(=O)C=C1Br
InChIInChI=1S/C7H6Br2O2/c1-4(8)2-6-5(9)3-7(10)11-6/h2-3,6H,1H3/b4-2-
InChIKeyMIOCOPPGLHADBW-RQOWECAXSA-N
MW281.93 g/mol
LogP2.49
Rot. Bonds1

About 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one

3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one (PubChem CID 56836438) has the molecular formula C7H6Br2O2 and a molecular weight of 281.93 g/mol. Its IUPAC name is 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one
PubChem CID56836438
Molecular FormulaC7H6Br2O2
Molecular Weight281.93 g/mol
Exact Mass279.87
IUPAC Name3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one
SMILESC/C(Br)=C/C1OC(=O)C=C1Br
InChIInChI=1S/C7H6Br2O2/c1-4(8)2-6-5(9)3-7(10)11-6/h2-3,6H,1H3/b4-2-
InChIKeyMIOCOPPGLHADBW-RQOWECAXSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.93
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-5-methylfuran-2(5H)-one
CID 3018649
4-bromo-5-(dibromomethyl)-3-methylfuran-2(5H)-one
CID 44447106
4-bromo-5-methyl-2(5H)-furanone
CID 14708620
3,4-dibromo-2-prop-2-enyl-2H-furan-5-one
CID 10423864
5-(bromomethyl)furan-2(5H)-one
CID 12706681
(2S)-4-bromo-2-methyl-2H-furan-5-one
CID 11446649
4,5-Dibromo-5-methylfuran-2-one
CID 14708622
ethyl (E)-4,5-dibromopent-2-enoate
CID 102332865
[(Z)-3-bromopent-3-en-2-yl] acetate
CID 135037834
(1)-3-Bromo-5-ethylfuran-2(5H)-one
CID 12647644
4-(bromomethyl)-2-methyl-2H-furan-5-one
CID 12258902
3-bromo-2-propan-2-yl-2H-furan-5-one
CID 14785092

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one?
The IUPAC name of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one (CID 56836438) is 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one.
What is the SMILES notation for 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one?
The canonical SMILES for 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one is C/C(Br)=C/C1OC(=O)C=C1Br.
What is the InChIKey of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one?
The InChIKey is MIOCOPPGLHADBW-RQOWECAXSA-N. The full InChI is InChI=1S/C7H6Br2O2/c1-4(8)2-6-5(9)3-7(10)11-6/h2-3,6H,1H3/b4-2-.
What are the key properties of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one?
3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one has a molecular weight of 281.93 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-2H-furan-5-one is sourced from PubChem (CID 56836438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).