(E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide

C10H8N2O2 — CID 11715310

IUPAC(E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide
SMILESN#Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C10H8N2O2/c11-7-9-3-1-8(2-4-9)5-6-10(13)12-14/h1-6,14H,(H,12,13)/b6-5+
InChIKeyJWSBMMPNUFYIFL-AATRIKPKSA-N
MW188.19 g/mol
LogP1.08
Rot. Bonds2

About (E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide

(E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide (PubChem CID 11715310) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide
PubChem CID11715310
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide
SMILESN#Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C10H8N2O2/c11-7-9-3-1-8(2-4-9)5-6-10(13)12-14/h1-6,14H,(H,12,13)/b6-5+
InChIKeyJWSBMMPNUFYIFL-AATRIKPKSA-N
XLogP1.08
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide (CID 11715310) is (E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide is N#Cc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide?
The InChIKey is JWSBMMPNUFYIFL-AATRIKPKSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-7-9-3-1-8(2-4-9)5-6-10(13)12-14/h1-6,14H,(H,12,13)/b6-5+.
What are the key properties of (E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide?
(E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide has a molecular weight of 188.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11715310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).