ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate

C10H14N2O3 — CID 722701

IUPACethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/N1CCOCC1
InChIInChI=1S/C10H14N2O3/c1-2-15-10(13)9(7-11)8-12-3-5-14-6-4-12/h8H,2-6H2,1H3/b9-8+
InChIKeyJEUHJKUDMBBWLQ-CMDGGOBGSA-N
MW210.23 g/mol
LogP0.29
Rot. Bonds3

About ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate

ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate (PubChem CID 722701) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate
PubChem CID722701
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/N1CCOCC1
InChIInChI=1S/C10H14N2O3/c1-2-15-10(13)9(7-11)8-12-3-5-14-6-4-12/h8H,2-6H2,1H3/b9-8+
InChIKeyJEUHJKUDMBBWLQ-CMDGGOBGSA-N
XLogP0.29
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-morpholin-4-ylprop-2-enoate?
The IUPAC name of ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate (CID 722701) is ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate is CCOC(=O)/C(C#N)=C/N1CCOCC1.
What is the InChIKey of ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate?
The InChIKey is JEUHJKUDMBBWLQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-15-10(13)9(7-11)8-12-3-5-14-6-4-12/h8H,2-6H2,1H3/b9-8+.
What are the key properties of ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate?
ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate has a molecular weight of 210.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate is sourced from PubChem (CID 722701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).