methyl 3-(5-bromofuran-2-yl)prop-2-enoate

C8H7BrO3 — CID 66591461

IUPACmethyl 3-(5-bromofuran-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(Br)o1
InChIInChI=1S/C8H7BrO3/c1-11-8(10)5-3-6-2-4-7(9)12-6/h2-5H,1H3
InChIKeyHHPXRRQKAZDWDG-UHFFFAOYSA-N
MW231.04 g/mol
LogP2.23
Rot. Bonds2

About methyl 3-(5-bromofuran-2-yl)prop-2-enoate

methyl 3-(5-bromofuran-2-yl)prop-2-enoate (PubChem CID 66591461) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is methyl 3-(5-bromofuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-bromofuran-2-yl)prop-2-enoate
PubChem CID66591461
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Namemethyl 3-(5-bromofuran-2-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(Br)o1
InChIInChI=1S/C8H7BrO3/c1-11-8(10)5-3-6-2-4-7(9)12-6/h2-5H,1H3
InChIKeyHHPXRRQKAZDWDG-UHFFFAOYSA-N
XLogP2.23
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(5-ethylfuran-2-yl)prop-2-enoate
CID 54231207
methyl 2-[[2-[(Z)-3-(5-bromofuran-2-yl)prop-2-enoyl]oxyacetyl]amino]benzoate
CID 2385445
[2-(4-methoxyphenyl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 2379769
methyl 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-3-methylbutanoate
CID 43404147
methyl 4-[[2-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]oxyacetyl]amino]benzoate
CID 2385422
[2-(butylamino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 2517847
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(5-bromofuran-2-yl)prop-2-enoate
CID 4313377
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 7868792
(2Z,4E)-5-(5-bromofuran-2-yl)-3-methylpenta-2,4-dienoic acid
CID 44631145
methyl 3-[5-(propan-2-ylcarbamoyl)furan-2-yl]prop-2-enoate
CID 175475304
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 46620405
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(5-bromofuran-2-yl)prop-2-enoate
CID 4265661

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-bromofuran-2-yl)prop-2-enoate?
The IUPAC name of methyl 3-(5-bromofuran-2-yl)prop-2-enoate (CID 66591461) is methyl 3-(5-bromofuran-2-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-bromofuran-2-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-bromofuran-2-yl)prop-2-enoate is COC(=O)C=Cc1ccc(Br)o1.
What is the InChIKey of methyl 3-(5-bromofuran-2-yl)prop-2-enoate?
The InChIKey is HHPXRRQKAZDWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3/c1-11-8(10)5-3-6-2-4-7(9)12-6/h2-5H,1H3.
What are the key properties of methyl 3-(5-bromofuran-2-yl)prop-2-enoate?
methyl 3-(5-bromofuran-2-yl)prop-2-enoate has a molecular weight of 231.04 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-bromofuran-2-yl)prop-2-enoate is sourced from PubChem (CID 66591461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).