(E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide

C10H11NO2 — CID 11542865

IUPAC(E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C10H11NO2/c1-8-2-4-9(5-3-8)6-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-6+
InChIKeyDEQAPAAUGTUJDH-VOTSOKGWSA-N
MW177.20 g/mol
LogP1.51
Rot. Bonds2

About (E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide

(E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide (PubChem CID 11542865) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide
PubChem CID11542865
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C10H11NO2/c1-8-2-4-9(5-3-8)6-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-6+
InChIKeyDEQAPAAUGTUJDH-VOTSOKGWSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide (CID 11542865) is (E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is DEQAPAAUGTUJDH-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8-2-4-9(5-3-8)6-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-6+.
What are the key properties of (E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide?
(E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 177.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 11542865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).