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

C9H8N2O4 — CID 11658527

IUPAC(E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C9H8N2O4/c12-9(10-13)6-3-7-1-4-8(5-2-7)11(14)15/h1-6,13H,(H,10,12)/b6-3+
InChIKeyDXSWHZGUZUBIMD-ZZXKWVIFSA-N
MW208.17 g/mol
LogP1.11
Rot. Bonds3

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

(E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 11658527) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide
PubChem CID11658527
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name(E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C9H8N2O4/c12-9(10-13)6-3-7-1-4-8(5-2-7)11(14)15/h1-6,13H,(H,10,12)/b6-3+
InChIKeyDXSWHZGUZUBIMD-ZZXKWVIFSA-N
XLogP1.11
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide (CID 11658527) is (E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is DXSWHZGUZUBIMD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-9(10-13)6-3-7-1-4-8(5-2-7)11(14)15/h1-6,13H,(H,10,12)/b6-3+.
What are the key properties of (E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 208.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 11658527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).