N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide

C12H13NO3 — CID 58280614

IUPACN-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide
SMILESCCC(=O)/C=C/c1cccc(C(=O)NO)c1
InChIInChI=1S/C12H13NO3/c1-2-11(14)7-6-9-4-3-5-10(8-9)12(15)13-16/h3-8,16H,2H2,1H3,(H,13,15)/b7-6+
InChIKeyNNPUNHKMGNAZPZ-VOTSOKGWSA-N
MW219.24 g/mol
LogP1.80
Rot. Bonds4

About N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide

N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide (PubChem CID 58280614) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide
PubChem CID58280614
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide
SMILESCCC(=O)/C=C/c1cccc(C(=O)NO)c1
InChIInChI=1S/C12H13NO3/c1-2-11(14)7-6-9-4-3-5-10(8-9)12(15)13-16/h3-8,16H,2H2,1H3,(H,13,15)/b7-6+
InChIKeyNNPUNHKMGNAZPZ-VOTSOKGWSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide?
The IUPAC name of N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide (CID 58280614) is N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide.
What is the SMILES notation for N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide?
The canonical SMILES for N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide is CCC(=O)/C=C/c1cccc(C(=O)NO)c1.
What is the InChIKey of N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide?
The InChIKey is NNPUNHKMGNAZPZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-11(14)7-6-9-4-3-5-10(8-9)12(15)13-16/h3-8,16H,2H2,1H3,(H,13,15)/b7-6+.
What are the key properties of N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide?
N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide has a molecular weight of 219.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(E)-3-oxopent-1-enyl]benzamide is sourced from PubChem (CID 58280614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).