N-hydroxy-N-phenylprop-2-enamide

C9H9NO2 — CID 11367183

IUPACN-hydroxy-N-phenylprop-2-enamide
SMILESC=CC(=O)N(O)c1ccccc1
InChIInChI=1S/C9H9NO2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h2-7,12H,1H2
InChIKeyIBKOQUUOKFBMRC-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.59
Rot. Bonds2

About N-hydroxy-N-phenylprop-2-enamide

N-hydroxy-N-phenylprop-2-enamide (PubChem CID 11367183) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is N-hydroxy-N-phenylprop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-N-phenylprop-2-enamide
PubChem CID11367183
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC NameN-hydroxy-N-phenylprop-2-enamide
SMILESC=CC(=O)N(O)c1ccccc1
InChIInChI=1S/C9H9NO2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h2-7,12H,1H2
InChIKeyIBKOQUUOKFBMRC-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
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 N-hydroxy-N-phenylprop-2-enamide?
The IUPAC name of N-hydroxy-N-phenylprop-2-enamide (CID 11367183) is N-hydroxy-N-phenylprop-2-enamide.
What is the SMILES notation for N-hydroxy-N-phenylprop-2-enamide?
The canonical SMILES for N-hydroxy-N-phenylprop-2-enamide is C=CC(=O)N(O)c1ccccc1.
What is the InChIKey of N-hydroxy-N-phenylprop-2-enamide?
The InChIKey is IBKOQUUOKFBMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h2-7,12H,1H2.
What are the key properties of N-hydroxy-N-phenylprop-2-enamide?
N-hydroxy-N-phenylprop-2-enamide has a molecular weight of 163.18 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-phenylprop-2-enamide is sourced from PubChem (CID 11367183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).