(E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide

C14H14N4O2 — CID 135903324

IUPAC(E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1cn(C/C=C/c2ccccc2)nn1)NO
InChIInChI=1S/C14H14N4O2/c19-14(16-20)9-8-13-11-18(17-15-13)10-4-7-12-5-2-1-3-6-12/h1-9,11,20H,10H2,(H,16,19)/b7-4+,9-8+
InChIKeyIILXTLMEJJIBSG-NUXDXBQRSA-N
MW270.29 g/mol
LogP1.51
Rot. Bonds5

About (E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide (PubChem CID 135903324) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide
PubChem CID135903324
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1cn(C/C=C/c2ccccc2)nn1)NO
InChIInChI=1S/C14H14N4O2/c19-14(16-20)9-8-13-11-18(17-15-13)10-4-7-12-5-2-1-3-6-12/h1-9,11,20H,10H2,(H,16,19)/b7-4+,9-8+
InChIKeyIILXTLMEJJIBSG-NUXDXBQRSA-N
XLogP1.51
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide (CID 135903324) is (E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide is O=C(/C=C/c1cn(C/C=C/c2ccccc2)nn1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide?
The InChIKey is IILXTLMEJJIBSG-NUXDXBQRSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-14(16-20)9-8-13-11-18(17-15-13)10-4-7-12-5-2-1-3-6-12/h1-9,11,20H,10H2,(H,16,19)/b7-4+,9-8+.
What are the key properties of (E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide has a molecular weight of 270.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]prop-2-enamide is sourced from PubChem (CID 135903324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).