(E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide

C13H11NO2 — CID 24880249

IUPAC(E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NO
InChIInChI=1S/C13H11NO2/c15-13(14-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9,16H,(H,14,15)/b9-8+
InChIKeyAOXOYUCWJCCUDO-CMDGGOBGSA-N
MW213.24 g/mol
LogP2.36
Rot. Bonds2

About (E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide

(E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide (PubChem CID 24880249) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is (E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide
PubChem CID24880249
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name(E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NO
InChIInChI=1S/C13H11NO2/c15-13(14-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9,16H,(H,14,15)/b9-8+
InChIKeyAOXOYUCWJCCUDO-CMDGGOBGSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.36
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-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide (CID 24880249) is (E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide is O=C(/C=C/c1cccc2ccccc12)NO.
What is the InChIKey of (E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is AOXOYUCWJCCUDO-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(14-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9,16H,(H,14,15)/b9-8+.
What are the key properties of (E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide?
(E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 213.24 g/mol, XLogP of 2.36, 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-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 24880249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).