2-hydroxy-3-phenylprop-2-enamide

C9H9NO2 — CID 66968846

IUPAC2-hydroxy-3-phenylprop-2-enamide
SMILESNC(=O)C(O)=Cc1ccccc1
InChIInChI=1S/C9H9NO2/c10-9(12)8(11)6-7-4-2-1-3-5-7/h1-6,11H,(H2,10,12)
InChIKeyVLEGKXSJUXLEJG-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.07
Rot. Bonds2

About 2-hydroxy-3-phenylprop-2-enamide

2-hydroxy-3-phenylprop-2-enamide (PubChem CID 66968846) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-hydroxy-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-hydroxy-3-phenylprop-2-enamide
PubChem CID66968846
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-hydroxy-3-phenylprop-2-enamide
SMILESNC(=O)C(O)=Cc1ccccc1
InChIInChI=1S/C9H9NO2/c10-9(12)8(11)6-7-4-2-1-3-5-7/h1-6,11H,(H2,10,12)
InChIKeyVLEGKXSJUXLEJG-UHFFFAOYSA-N
XLogP1.07
TPSA63.32 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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenylprop-2-enamide?
The IUPAC name of 2-hydroxy-3-phenylprop-2-enamide (CID 66968846) is 2-hydroxy-3-phenylprop-2-enamide.
What is the SMILES notation for 2-hydroxy-3-phenylprop-2-enamide?
The canonical SMILES for 2-hydroxy-3-phenylprop-2-enamide is NC(=O)C(O)=Cc1ccccc1.
What is the InChIKey of 2-hydroxy-3-phenylprop-2-enamide?
The InChIKey is VLEGKXSJUXLEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c10-9(12)8(11)6-7-4-2-1-3-5-7/h1-6,11H,(H2,10,12).
What are the key properties of 2-hydroxy-3-phenylprop-2-enamide?
2-hydroxy-3-phenylprop-2-enamide has a molecular weight of 163.18 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenylprop-2-enamide is sourced from PubChem (CID 66968846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).