ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate

C10H8BrNO3 — CID 6298020

IUPACethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1ccc(Br)o1
InChIInChI=1S/C10H8BrNO3/c1-2-14-10(13)7(6-12)5-8-3-4-9(11)15-8/h3-5H,2H2,1H3/b7-5-
InChIKeyMZRQKTCUZZQCMY-ALCCZGGFSA-N
MW270.08 g/mol
LogP2.51
Rot. Bonds3

About ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate

ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate (PubChem CID 6298020) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate
PubChem CID6298020
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Nameethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1ccc(Br)o1
InChIInChI=1S/C10H8BrNO3/c1-2-14-10(13)7(6-12)5-8-3-4-9(11)15-8/h3-5H,2H2,1H3/b7-5-
InChIKeyMZRQKTCUZZQCMY-ALCCZGGFSA-N
XLogP2.51
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 4-[5-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)furan-2-yl]benzoate
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ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852
prop-2-enyl 2-cyano-3-(5-methylfuran-2-yl)prop-2-enoate
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ethyl (Z)-2-cyano-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate
CID 119056487
ethyl (E)-2-cyano-3-(3-hydroxy-1-benzofuran-2-yl)prop-2-enoate
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CID 4771162
ethyl (E)-2-cyano-3-[5-(2-methoxy-5-methylphenyl)furan-2-yl]prop-2-enoate
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methyl 3-[5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]furan-2-yl]benzoate
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(E)-2-benzoyl-3-(5-bromofuran-2-yl)prop-2-enenitrile
CID 13327668
ethyl (E)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enoate
CID 800286

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate (CID 6298020) is ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate is CCOC(=O)/C(C#N)=C\c1ccc(Br)o1.
What is the InChIKey of ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate?
The InChIKey is MZRQKTCUZZQCMY-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H8BrNO3/c1-2-14-10(13)7(6-12)5-8-3-4-9(11)15-8/h3-5H,2H2,1H3/b7-5-.
What are the key properties of ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate?
ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate has a molecular weight of 270.08 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate is sourced from PubChem (CID 6298020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).