(3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate

C15H11NO3 — CID 7852177

IUPAC(3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESN#Cc1cccc(COC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C15H11NO3/c16-10-12-3-1-4-13(9-12)11-19-15(17)7-6-14-5-2-8-18-14/h1-9H,11H2/b7-6+
InChIKeyZWSILAVKUXFNKF-VOTSOKGWSA-N
MW253.26 g/mol
LogP2.91
Rot. Bonds4

About (3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate

(3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 7852177) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID7852177
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESN#Cc1cccc(COC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C15H11NO3/c16-10-12-3-1-4-13(9-12)11-19-15(17)7-6-14-5-2-8-18-14/h1-9H,11H2/b7-6+
InChIKeyZWSILAVKUXFNKF-VOTSOKGWSA-N
XLogP2.91
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-cyanophenyl)methyl (E)-3-(furan-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

(3-cyanophenyl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 24558024
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
(3-cyanophenyl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 8815990
butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 2506390
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid
CID 165357082
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 47177058
3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl-dimethylazanium chloride
CID 44655635
(3-cyanophenyl)methoxy-hydroxy-oxophosphanium
CID 175462274
CID 59090942
CID 59090942

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of (3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate (CID 7852177) is (3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for (3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for (3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate is N#Cc1cccc(COC(=O)/C=C/c2ccco2)c1.
What is the InChIKey of (3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is ZWSILAVKUXFNKF-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H11NO3/c16-10-12-3-1-4-13(9-12)11-19-15(17)7-6-14-5-2-8-18-14/h1-9H,11H2/b7-6+.
What are the key properties of (3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate?
(3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 253.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 7852177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).