N-hydroxy-3-(3-oxoprop-1-enyl)benzamide

C10H9NO3 — CID 154380557

IUPACN-hydroxy-3-(3-oxoprop-1-enyl)benzamide
SMILESO=CC=Cc1cccc(C(=O)NO)c1
InChIInChI=1S/C10H9NO3/c12-6-2-4-8-3-1-5-9(7-8)10(13)11-14/h1-7,14H,(H,11,13)
InChIKeySUKXRKGJJGGBJQ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.02
Rot. Bonds3

About N-hydroxy-3-(3-oxoprop-1-enyl)benzamide

N-hydroxy-3-(3-oxoprop-1-enyl)benzamide (PubChem CID 154380557) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is N-hydroxy-3-(3-oxoprop-1-enyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-3-(3-oxoprop-1-enyl)benzamide
PubChem CID154380557
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC NameN-hydroxy-3-(3-oxoprop-1-enyl)benzamide
SMILESO=CC=Cc1cccc(C(=O)NO)c1
InChIInChI=1S/C10H9NO3/c12-6-2-4-8-3-1-5-9(7-8)10(13)11-14/h1-7,14H,(H,11,13)
InChIKeySUKXRKGJJGGBJQ-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-hydroxy-3-(3-oxoprop-1-enyl)benzamide?
The IUPAC name of N-hydroxy-3-(3-oxoprop-1-enyl)benzamide (CID 154380557) is N-hydroxy-3-(3-oxoprop-1-enyl)benzamide.
What is the SMILES notation for N-hydroxy-3-(3-oxoprop-1-enyl)benzamide?
The canonical SMILES for N-hydroxy-3-(3-oxoprop-1-enyl)benzamide is O=CC=Cc1cccc(C(=O)NO)c1.
What is the InChIKey of N-hydroxy-3-(3-oxoprop-1-enyl)benzamide?
The InChIKey is SUKXRKGJJGGBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-6-2-4-8-3-1-5-9(7-8)10(13)11-14/h1-7,14H,(H,11,13).
What are the key properties of N-hydroxy-3-(3-oxoprop-1-enyl)benzamide?
N-hydroxy-3-(3-oxoprop-1-enyl)benzamide has a molecular weight of 191.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(3-oxoprop-1-enyl)benzamide is sourced from PubChem (CID 154380557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).