(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide

C14H15N3O2 — CID 874091

IUPAC(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCOCC2)cc1)C(N)=O
InChIInChI=1S/C14H15N3O2/c15-10-12(14(16)18)9-11-1-3-13(4-2-11)17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H2,16,18)/b12-9+
InChIKeyMRGJWJSTAKYGCH-FMIVXFBMSA-N
MW257.29 g/mol
LogP0.92
Rot. Bonds3

About (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide

(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 874091) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID874091
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCOCC2)cc1)C(N)=O
InChIInChI=1S/C14H15N3O2/c15-10-12(14(16)18)9-11-1-3-13(4-2-11)17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H2,16,18)/b12-9+
InChIKeyMRGJWJSTAKYGCH-FMIVXFBMSA-N
XLogP0.92
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide (CID 874091) is (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide is N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is MRGJWJSTAKYGCH-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-10-12(14(16)18)9-11-1-3-13(4-2-11)17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H2,16,18)/b12-9+.
What are the key properties of (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 257.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 874091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).