N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide

C13H11NO3 — CID 44562038

IUPACN-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide
SMILESO=C(NO)c1ccc(/C=C/c2ccccc2)o1
InChIInChI=1S/C13H11NO3/c15-13(14-16)12-9-8-11(17-12)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,14,15)/b7-6+
InChIKeyUSPQQLCGNXDFDP-VOTSOKGWSA-N
MW229.24 g/mol
LogP2.57
Rot. Bonds3

About N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide

N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide (PubChem CID 44562038) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide
PubChem CID44562038
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC NameN-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide
SMILESO=C(NO)c1ccc(/C=C/c2ccccc2)o1
InChIInChI=1S/C13H11NO3/c15-13(14-16)12-9-8-11(17-12)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,14,15)/b7-6+
InChIKeyUSPQQLCGNXDFDP-VOTSOKGWSA-N
XLogP2.57
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-5-[(E)-2-phenylethenyl]furan-2-carboxamide?
The IUPAC name of N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide (CID 44562038) is N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide is O=C(NO)c1ccc(/C=C/c2ccccc2)o1.
What is the InChIKey of N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide?
The InChIKey is USPQQLCGNXDFDP-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(14-16)12-9-8-11(17-12)7-6-10-4-2-1-3-5-10/h1-9,16H,(H,14,15)/b7-6+.
What are the key properties of N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide?
N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[(E)-2-phenylethenyl]furan-2-carboxamide is sourced from PubChem (CID 44562038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).