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

C10H9NO3 — CID 682084

IUPACethyl (E)-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-SOFGYWHQSA-N
MW191.19 g/mol
LogP1.75
Rot. Bonds3

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

ethyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate (PubChem CID 682084) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
PubChem CID682084
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Nameethyl (E)-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-SOFGYWHQSA-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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate (CID 682084) is ethyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate is CCOC(=O)/C(C#N)=C/c1ccco1.
What is the InChIKey of ethyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate?
The InChIKey is MWOUIHHHTGARFQ-SOFGYWHQSA-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 (E)-2-cyano-3-(furan-2-yl)prop-2-enoate?
ethyl (E)-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 (E)-2-cyano-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 682084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).