ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate

C16H13NO3 — CID 678345

IUPACethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C16H13NO3/c1-2-19-16(18)13(11-17)10-14-8-9-15(20-14)12-6-4-3-5-7-12/h3-10H,2H2,1H3/b13-10+
InChIKeyIGVPVTJRTRLHHO-JLHYYAGUSA-N
MW267.28 g/mol
LogP3.42
Rot. Bonds4

About ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate

ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate (PubChem CID 678345) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate
PubChem CID678345
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Nameethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C16H13NO3/c1-2-19-16(18)13(11-17)10-14-8-9-15(20-14)12-6-4-3-5-7-12/h3-10H,2H2,1H3/b13-10+
InChIKeyIGVPVTJRTRLHHO-JLHYYAGUSA-N
XLogP3.42
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.42
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'}

Analyze ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate 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

Ethyl 2-phenyl-3-furoate
CID 62007
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
2,5-Diphenylfuran
CID 70387
Acrylophenone, 3-(2-furyl)-
CID 5354164
Benzoic acid, 4-heptyl-, 4-cyanophenyl ester
CID 170097
Benzoic acid, 4-butyl-, 4-cyanophenyl ester
CID 170098
3-(5-Phenylfuran-2-yl)propanoic acid
CID 593970
4-Cyanophenyl 4-ethylbenzoate
CID 583727
(4E)-4-[(5-methylfuran-2-yl)methylidene]-3-phenyl-1,2-oxazol-5(4H)-one
CID 699724
(4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one
CID 1716445
(5Z)-2-hydroxy-4-methyl-6-oxo-5-[(5-phenylfuran-2-yl)methylidene]-5,6-dihydropyridine-3-carbonitrile
CID 2275754
4-(Fur-2-yl)benzoic acid
CID 5138791

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate (CID 678345) is ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate is CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1.
What is the InChIKey of ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate?
The InChIKey is IGVPVTJRTRLHHO-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-19-16(18)13(11-17)10-14-8-9-15(20-14)12-6-4-3-5-7-12/h3-10H,2H2,1H3/b13-10+.
What are the key properties of ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate?
ethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate has a molecular weight of 267.28 g/mol, XLogP of 3.42, 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-3-(5-phenylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 678345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).