(E)-N-hydroxy-3-phenylprop-2-enamide

C9H9NO2 — CID 5355635

IUPAC(E)-N-hydroxy-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NO
InChIInChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+
InChIKeyUVDDFTZLVFIQFL-VOTSOKGWSA-N
MW163.18 g/mol
LogP1.21
Rot. Bonds2

About (E)-N-hydroxy-3-phenylprop-2-enamide

(E)-N-hydroxy-3-phenylprop-2-enamide (PubChem CID 5355635) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (E)-N-hydroxy-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-phenylprop-2-enamide
PubChem CID5355635
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(E)-N-hydroxy-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NO
InChIInChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+
InChIKeyUVDDFTZLVFIQFL-VOTSOKGWSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.21
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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Related Compounds

trans-Cinnamamide
CID 5273472
CG-1521
CID 10220017
2-Propenamide, 3-phenyl-
CID 12135
N-hydroxy-4-phenylbutanamide
CID 279980
Benzalcyanoacetamide
CID 725466
N-Hydroxy-E-3-(biphenyl-4-yl)-acrylamide
CID 42632368
(2E)-3-(4-Chlorophenyl)-N-hydroxyacrylamide
CID 11694089
n-Methylcinnamamide
CID 6039989
N-hydroxy-3-phenylpropanamide
CID 4118131
3-Phenyl-propynoic acid hydroxyamide
CID 16081869
E,E-5-Biphenyl-4-yl-penta-2,4-dienoic acid Nhydroxyamide
CID 42632614
1-Hydroxy-5-phenylpyridin-2-one
CID 44543378

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-phenylprop-2-enamide (CID 5355635) is (E)-N-hydroxy-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-phenylprop-2-enamide?
The InChIKey is UVDDFTZLVFIQFL-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+.
What are the key properties of (E)-N-hydroxy-3-phenylprop-2-enamide?
(E)-N-hydroxy-3-phenylprop-2-enamide has a molecular weight of 163.18 g/mol, XLogP of 1.21, 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-phenylprop-2-enamide is sourced from PubChem (CID 5355635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).