3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one

C10H12Br2O2 — CID 56836366

IUPAC3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one
SMILESCCCC1=C(Br)C(/C=C(/C)Br)OC1=O
InChIInChI=1S/C10H12Br2O2/c1-3-4-7-9(12)8(5-6(2)11)14-10(7)13/h5,8H,3-4H2,1-2H3/b6-5-
InChIKeyZLNCAJYYVAIAMS-WAYWQWQTSA-N
MW324.01 g/mol
LogP3.66
Rot. Bonds3

About 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one

3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one (PubChem CID 56836366) has the molecular formula C10H12Br2O2 and a molecular weight of 324.01 g/mol. Its IUPAC name is 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one.

Molecular Properties

Compound Name3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one
PubChem CID56836366
Molecular FormulaC10H12Br2O2
Molecular Weight324.01 g/mol
Exact Mass321.92
IUPAC Name3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one
SMILESCCCC1=C(Br)C(/C=C(/C)Br)OC1=O
InChIInChI=1S/C10H12Br2O2/c1-3-4-7-9(12)8(5-6(2)11)14-10(7)13/h5,8H,3-4H2,1-2H3/b6-5-
InChIKeyZLNCAJYYVAIAMS-WAYWQWQTSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.01
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Manshurolide
CID 14527198
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219
Neo-aristolactone
CID 5315198
methyl 3-[(2R)-3-bromo-5-oxo-2H-furan-2-yl]propanoate
CID 51002842
(4Z,8Z,11S)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 101032442
5-(but-3-en-1-yl)-3-propylfuran-2(5H)-one
CID 139584592
4-Bromo-3-butyl-5-methyl-2(5h)-furanone
CID 11776138
5-methyl-3-propyl-2(5H)-furanone
CID 14116105
3,4-dibromo-2-(2-methylprop-2-enyl)-2H-furan-5-one
CID 9994689
Propan-2-yl 4-bromo-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylate
CID 139918303
(4E,8E,11R)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 6326322
methyl 2-[(3,4-dibromo-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
CID 9974481

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one?
The IUPAC name of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one (CID 56836366) is 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one.
What is the SMILES notation for 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one?
The canonical SMILES for 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one is CCCC1=C(Br)C(/C=C(/C)Br)OC1=O.
What is the InChIKey of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one?
The InChIKey is ZLNCAJYYVAIAMS-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H12Br2O2/c1-3-4-7-9(12)8(5-6(2)11)14-10(7)13/h5,8H,3-4H2,1-2H3/b6-5-.
What are the key properties of 3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one?
3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-propyl-2H-furan-5-one has a molecular weight of 324.01 g/mol, XLogP of 3.66, 3 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]-4-propyl-2H-furan-5-one is sourced from PubChem (CID 56836366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).