ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate

C10H9NO3 — CID 5337852

IUPACethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1ccco1
InChIInChI=1S/C10H9NO3/c1-2-13-10(12)8(7-11)6-9-4-3-5-14-9/h3-6H,2H2,1H3/b8-6-
InChIKeyMWOUIHHHTGARFQ-VURMDHGXSA-N
MW191.19 g/mol
LogP1.75
Rot. Bonds3

About ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate

ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate (PubChem CID 5337852) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
PubChem CID5337852
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Nameethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1ccco1
InChIInChI=1S/C10H9NO3/c1-2-13-10(12)8(7-11)6-9-4-3-5-14-9/h3-6H,2H2,1H3/b8-6-
InChIKeyMWOUIHHHTGARFQ-VURMDHGXSA-N
XLogP1.75
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.75
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 (Z)-2-cyano-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

methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7560260
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7914703
ethyl (2E)-2-(furan-2-ylmethylidene)-4-tri(propan-2-yl)silylbut-3-ynoate
CID 132525007
ethyl (E)-2-cyano-4-(furan-2-yl)but-2-enoate
CID 14063709
3-ethoxycarbonyl-4-(furan-2-yl)but-3-enoic acid
CID 71362609
ethyl (Z)-3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate
CID 6298020
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7914692
ethyl (Z)-2-cyano-3-(furan-2-carbonylamino)prop-2-enoate
CID 2942084
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7560226
ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 170872169
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7560272

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate (CID 5337852) is ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate is CCOC(=O)/C(C#N)=C\c1ccco1.
What is the InChIKey of ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate?
The InChIKey is MWOUIHHHTGARFQ-VURMDHGXSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-13-10(12)8(7-11)6-9-4-3-5-14-9/h3-6H,2H2,1H3/b8-6-.
What are the key properties of ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate?
ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate has a molecular weight of 191.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 5337852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).