ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate

C16H18N2O3 — CID 2129548

IUPACethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-21-16(19)14(12-17)11-13-3-5-15(6-4-13)18-7-9-20-10-8-18/h3-6,11H,2,7-10H2,1H3/b14-11-
InChIKeyUMRNKORTAYWOKI-KAMYIIQDSA-N
MW286.33 g/mol
LogP1.99
Rot. Bonds4

About ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate

ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate (PubChem CID 2129548) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate
PubChem CID2129548
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-21-16(19)14(12-17)11-13-3-5-15(6-4-13)18-7-9-20-10-8-18/h3-6,11H,2,7-10H2,1H3/b14-11-
InChIKeyUMRNKORTAYWOKI-KAMYIIQDSA-N
XLogP1.99
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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 (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate (CID 2129548) is ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate is CCOC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1.
What is the InChIKey of ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate?
The InChIKey is UMRNKORTAYWOKI-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-21-16(19)14(12-17)11-13-3-5-15(6-4-13)18-7-9-20-10-8-18/h3-6,11H,2,7-10H2,1H3/b14-11-.
What are the key properties of ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate?
ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate has a molecular weight of 286.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate is sourced from PubChem (CID 2129548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).