ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate

C10H11NO3 — CID 134847029

IUPACethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate
SMILESC=CC1CC(C(=O)OCC)=C(C#N)O1
InChIInChI=1S/C10H11NO3/c1-3-7-5-8(9(6-11)14-7)10(12)13-4-2/h3,7H,1,4-5H2,2H3
InChIKeyDBOOWQRHRUTKGV-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.30
Rot. Bonds3

About ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate

ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 134847029) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate
PubChem CID134847029
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate
SMILESC=CC1CC(C(=O)OCC)=C(C#N)O1
InChIInChI=1S/C10H11NO3/c1-3-7-5-8(9(6-11)14-7)10(12)13-4-2/h3,7H,1,4-5H2,2H3
InChIKeyDBOOWQRHRUTKGV-UHFFFAOYSA-N
XLogP1.30
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate
CID 14956101
3-Furancarboxylic acid, 5-ethenyl-4,5-dihydro-2-methyl-, methyl ester
CID 11829832
Ethyl 5-ethenyl-2-methyl-4,5-dihydrofuran-3-carboxylate
CID 12573427
Methyl 5-but-3-ynyl-2-ethenyl-2,3-dihydrofuran-4-carboxylate
CID 24946865
Methyl 5-but-3-enyl-2-ethenyl-2,3-dihydrofuran-4-carboxylate
CID 102157244
methyl 5-methyl-2-[(E)-3-oxobut-1-enyl]-2,3-dihydrofuran-4-carboxylate
CID 134861102
Ethyl 2-ethenyl-5-prop-2-enyl-2,3-dihydrofuran-4-carboxylate
CID 134861157
ethyl 2-ethenyl-5-[(E)-pent-1-enyl]-2,3-dihydrofuran-4-carboxylate
CID 20191513
4-Carbethoxy-5-pentyl-2-vinyl-2,3-dihydrofuran
CID 20191518
Ethyl 2-ethenyl-5-(3-methylbutyl)-2,3-dihydrofuran-4-carboxylate
CID 20191523
Propan-2-yl 2-ethenyl-5-(3-methylbut-3-enyl)-2,3-dihydrofuran-4-carboxylate
CID 20191524
Methyl 2-ethenyl-5-ethyl-2,3-dihydrofuran-4-carboxylate
CID 20191526

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate (CID 134847029) is ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate is C=CC1CC(C(=O)OCC)=C(C#N)O1.
What is the InChIKey of ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is DBOOWQRHRUTKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-7-5-8(9(6-11)14-7)10(12)13-4-2/h3,7H,1,4-5H2,2H3.
What are the key properties of ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate?
ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-2-ethenyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 134847029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).