ethyl 3-(3-bromofuran-2-yl)prop-2-enoate

C9H9BrO3 — CID 105422223

IUPACethyl 3-(3-bromofuran-2-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1occc1Br
InChIInChI=1S/C9H9BrO3/c1-2-12-9(11)4-3-8-7(10)5-6-13-8/h3-6H,2H2,1H3
InChIKeyGDLNTFNGZXAGHJ-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.62
Rot. Bonds3

About ethyl 3-(3-bromofuran-2-yl)prop-2-enoate

ethyl 3-(3-bromofuran-2-yl)prop-2-enoate (PubChem CID 105422223) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is ethyl 3-(3-bromofuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(3-bromofuran-2-yl)prop-2-enoate
PubChem CID105422223
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Nameethyl 3-(3-bromofuran-2-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1occc1Br
InChIInChI=1S/C9H9BrO3/c1-2-12-9(11)4-3-8-7(10)5-6-13-8/h3-6H,2H2,1H3
InChIKeyGDLNTFNGZXAGHJ-UHFFFAOYSA-N
XLogP2.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.62
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 (E)-3-(3-bromofuran-2-yl)prop-2-enoate
CID 12066521
ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate
CID 106885924
ethyl 3-(3,5-dibromo-4-pyridinyl)prop-2-enoate
CID 68764811
ethyl (E)-3-(2-bromo-4-hydroxyphenyl)prop-2-enoate
CID 118198345
ethyl 3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enoate
CID 86072917
ethyl 3-(2-bromo-5-fluorophenyl)prop-2-enoate
CID 74320921
ethyl (E)-3-[4-(4-bromophenyl)phenyl]prop-2-enoate
CID 10544468
ethyl (E)-3-(2-bromo-5-chlorophenyl)prop-2-enoate
CID 139488565
ethyl 3-(4-bromo-2,6-dimethylphenyl)prop-2-enoate
CID 169481177
ethyl (E)-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 86584745
N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide
CID 169466854
ethyl (Z)-3-(3-bromophenyl)prop-2-enoate
CID 124561754

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-bromofuran-2-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(3-bromofuran-2-yl)prop-2-enoate (CID 105422223) is ethyl 3-(3-bromofuran-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(3-bromofuran-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(3-bromofuran-2-yl)prop-2-enoate is CCOC(=O)C=Cc1occc1Br.
What is the InChIKey of ethyl 3-(3-bromofuran-2-yl)prop-2-enoate?
The InChIKey is GDLNTFNGZXAGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c1-2-12-9(11)4-3-8-7(10)5-6-13-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 3-(3-bromofuran-2-yl)prop-2-enoate?
ethyl 3-(3-bromofuran-2-yl)prop-2-enoate has a molecular weight of 245.07 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-bromofuran-2-yl)prop-2-enoate is sourced from PubChem (CID 105422223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).