ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate

C10H11BrO3 — CID 106885924

IUPACethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/c1occc1Br
InChIInChI=1S/C10H11BrO3/c1-3-13-10(12)7(2)6-9-8(11)4-5-14-9/h4-6H,3H2,1-2H3/b7-6+
InChIKeyDYFPTUSUTYXLKA-VOTSOKGWSA-N
MW259.10 g/mol
LogP3.01
Rot. Bonds3

About ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate

ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate (PubChem CID 106885924) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate
PubChem CID106885924
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Nameethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/c1occc1Br
InChIInChI=1S/C10H11BrO3/c1-3-13-10(12)7(2)6-9-8(11)4-5-14-9/h4-6H,3H2,1-2H3/b7-6+
InChIKeyDYFPTUSUTYXLKA-VOTSOKGWSA-N
XLogP3.01
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 53.01
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

(E)-4-(3-bromofuran-2-yl)-3-methylbut-3-en-2-one
CID 106889481
ethyl 3-(3-bromofuran-2-yl)prop-2-enoate
CID 105422223
ethyl (E)-3-(4-ethylphenyl)-2-methylprop-2-enoate
CID 104503609
ethyl (E)-3-(4-carbamoylphenyl)-2-methylprop-2-enoate
CID 104503414
ethyl 2-(3-bromofuran-2-yl)propanoate
CID 101398465
ethyl (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-methylprop-2-enoate
CID 104503771
ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
CID 104939504
ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate
CID 104503814
ethyl 2-(3-bromofuran-2-yl)pentanoate
CID 83042433
ethyl (E)-2-methyl-3-naphthalen-1-ylprop-2-enoate
CID 88621267
ethyl (E)-3-(3,4-difluorophenyl)-2-methylprop-2-enoate
CID 104503673
N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide
CID 169466854

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate?
The IUPAC name of ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate (CID 106885924) is ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate is CCOC(=O)/C(C)=C/c1occc1Br.
What is the InChIKey of ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate?
The InChIKey is DYFPTUSUTYXLKA-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-3-13-10(12)7(2)6-9-8(11)4-5-14-9/h4-6H,3H2,1-2H3/b7-6+.
What are the key properties of ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate?
ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate has a molecular weight of 259.10 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 106885924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).