4-(bromomethyl)-2-ethenyl-2H-furan-5-one

C7H7BrO2 — CID 162399330

IUPAC4-(bromomethyl)-2-ethenyl-2H-furan-5-one
SMILESC=CC1C=C(CBr)C(=O)O1
InChIInChI=1S/C7H7BrO2/c1-2-6-3-5(4-8)7(9)10-6/h2-3,6H,1,4H2
InChIKeyZVOYMFIVYNGPJV-UHFFFAOYSA-N
MW203.03 g/mol
LogP1.42
Rot. Bonds2

About 4-(bromomethyl)-2-ethenyl-2H-furan-5-one

4-(bromomethyl)-2-ethenyl-2H-furan-5-one (PubChem CID 162399330) has the molecular formula C7H7BrO2 and a molecular weight of 203.03 g/mol. Its IUPAC name is 4-(bromomethyl)-2-ethenyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(bromomethyl)-2-ethenyl-2H-furan-5-one
PubChem CID162399330
Molecular FormulaC7H7BrO2
Molecular Weight203.03 g/mol
Exact Mass201.96
IUPAC Name4-(bromomethyl)-2-ethenyl-2H-furan-5-one
SMILESC=CC1C=C(CBr)C(=O)O1
InChIInChI=1S/C7H7BrO2/c1-2-6-3-5(4-8)7(9)10-6/h2-3,6H,1,4H2
InChIKeyZVOYMFIVYNGPJV-UHFFFAOYSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2(5H)-Furanone, 3-(bromomethyl)-
CID 12258901
5-(bromomethyl)furan-2(5H)-one
CID 12706681
3-(1-bromoethyl)-5H-furan-2-one
CID 13902459
(2R)-2-(3-bromopropyl)-2H-furan-5-one
CID 134969509
4-(bromomethyl)-2-methyl-2H-furan-5-one
CID 12258902
(2S)-2-[(1R)-1-bromoethyl]-4-methyl-2H-furan-5-one
CID 130763673
(2S)-2-[(1R)-1-bromoethyl]-2H-furan-5-one
CID 130835071
ethyl (Z)-2-(bromomethyl)pent-2-enoate
CID 10466074
ethyl (E)-2-(bromomethyl)pent-2-enoate
CID 23089526
Ethyl 2-(bromomethyl)pent-2-enoate
CID 53718201
3-bromo-2-[(Z)-2-bromoprop-1-enyl]-4-methyl-2H-furan-5-one
CID 56836437
3-bromo-2-(2-bromoprop-1-enyl)-4-methyl-2H-furan-5-one
CID 76417042

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-ethenyl-2H-furan-5-one?
The IUPAC name of 4-(bromomethyl)-2-ethenyl-2H-furan-5-one (CID 162399330) is 4-(bromomethyl)-2-ethenyl-2H-furan-5-one.
What is the SMILES notation for 4-(bromomethyl)-2-ethenyl-2H-furan-5-one?
The canonical SMILES for 4-(bromomethyl)-2-ethenyl-2H-furan-5-one is C=CC1C=C(CBr)C(=O)O1.
What is the InChIKey of 4-(bromomethyl)-2-ethenyl-2H-furan-5-one?
The InChIKey is ZVOYMFIVYNGPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2/c1-2-6-3-5(4-8)7(9)10-6/h2-3,6H,1,4H2.
What are the key properties of 4-(bromomethyl)-2-ethenyl-2H-furan-5-one?
4-(bromomethyl)-2-ethenyl-2H-furan-5-one has a molecular weight of 203.03 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-ethenyl-2H-furan-5-one is sourced from PubChem (CID 162399330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).