3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide

C14H16N2O3 — CID 11334453

IUPAC3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(Cc2ccccc2)C1=O)NO
InChIInChI=1S/C14H16N2O3/c17-13(15-19)7-6-12-8-9-16(14(12)18)10-11-4-2-1-3-5-11/h1-5,8,19H,6-7,9-10H2,(H,15,17)
InChIKeyVQSHMXXQPVNIQO-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.24
Rot. Bonds5

About 3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide

3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide (PubChem CID 11334453) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide.

Molecular Properties

Compound Name3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide
PubChem CID11334453
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide
SMILESO=C(CCC1=CCN(Cc2ccccc2)C1=O)NO
InChIInChI=1S/C14H16N2O3/c17-13(15-19)7-6-12-8-9-16(14(12)18)10-11-4-2-1-3-5-11/h1-5,8,19H,6-7,9-10H2,(H,15,17)
InChIKeyVQSHMXXQPVNIQO-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.24
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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Related Compounds

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CID 121439991
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(2E)(4E)-5-Phenylpenta-2,4-dienoic acid (5-hydroxycarbamoylpentyl)amide
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N-(5-Hydroxycarbamoyl-pentyl)-benzamide
CID 9921260
N-hydroxy-3-[5-oxo-1-(3-phenylpropyl)-2H-pyrrol-4-yl]propanamide
CID 9947876
3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11150492
N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide?
The IUPAC name of 3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide (CID 11334453) is 3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide.
What is the SMILES notation for 3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide?
The canonical SMILES for 3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide is O=C(CCC1=CCN(Cc2ccccc2)C1=O)NO.
What is the InChIKey of 3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide?
The InChIKey is VQSHMXXQPVNIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(15-19)7-6-12-8-9-16(14(12)18)10-11-4-2-1-3-5-11/h1-5,8,19H,6-7,9-10H2,(H,15,17).
What are the key properties of 3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide?
3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide has a molecular weight of 260.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-5-oxo-2H-pyrrol-4-yl)-N-hydroxypropanamide is sourced from PubChem (CID 11334453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).