ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate

C11H11NO3 — CID 14063709

IUPACethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate
SMILESCCOC(=O)/C(C#N)=C/Cc1ccco1
InChIInChI=1S/C11H11NO3/c1-2-14-11(13)9(8-12)5-6-10-4-3-7-15-10/h3-5,7H,2,6H2,1H3/b9-5+
InChIKeyDOYXKQROKDSGSV-WEVVVXLNSA-N
MW205.21 g/mol
LogP1.84
Rot. Bonds4

About ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate

ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate (PubChem CID 14063709) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate
PubChem CID14063709
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Nameethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate
SMILESCCOC(=O)/C(C#N)=C/Cc1ccco1
InChIInChI=1S/C11H11NO3/c1-2-14-11(13)9(8-12)5-6-10-4-3-7-15-10/h3-5,7H,2,6H2,1H3/b9-5+
InChIKeyDOYXKQROKDSGSV-WEVVVXLNSA-N
XLogP1.84
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.84
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

ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852
ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate
CID 2942084
ethyl 2-cyano-4-(3,4-dihydroxyphenyl)but-2-enoate
CID 177307249
ethyl 2-cyano-3-(2,6-dimethylanilino)prop-2-enoate
CID 70458010
ethyl (E)-2-cyano-3-[2-[3-[2-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenoxy]propoxy]phenyl]prop-2-enoate
CID 101074217
3-ethoxycarbonyl-4-(furan-2-yl)but-3-enoic acid
CID 71362609
2-cyano-3-[[2-cyano-1-ethoxy-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]disulfanyl]-3-ethoxy-N-(furan-2-ylmethyl)prop-2-enamide
CID 4304523
ethyl 3-(2-butoxyphenyl)-2-cyanoprop-2-enoate
CID 4778537
ethyl (Z)-2-cyano-3-[2-[2-[2-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenoxy]ethoxy]phenyl]prop-2-enoate
CID 10623831
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863388
ethyl (E)-2-cyano-3-(2-propoxyanilino)prop-2-enoate
CID 8812471
ethyl (E)-3-[2-(2-chlorophenyl)hydrazinyl]-2-cyanoprop-2-enoate
CID 8811329

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate?
The IUPAC name of ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate (CID 14063709) is ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate.
What is the SMILES notation for ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate?
The canonical SMILES for ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate is CCOC(=O)/C(C#N)=C/Cc1ccco1.
What is the InChIKey of ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate?
The InChIKey is DOYXKQROKDSGSV-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-14-11(13)9(8-12)5-6-10-4-3-7-15-10/h3-5,7H,2,6H2,1H3/b9-5+.
What are the key properties of ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate?
ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate has a molecular weight of 205.21 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate is sourced from PubChem (CID 14063709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).