N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide

C15H16N2O2 — CID 162402355

IUPACN-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide
SMILESC=CC1=CCN(CC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C15H16N2O2/c1-2-13-8-9-17(15(13)19)11-14(18)16-10-12-6-4-3-5-7-12/h2-8H,1,9-11H2,(H,16,18)
InChIKeyZLZPRPPLLLLQFJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.26
Rot. Bonds5

About N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide

N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide (PubChem CID 162402355) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide
PubChem CID162402355
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide
SMILESC=CC1=CCN(CC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C15H16N2O2/c1-2-13-8-9-17(15(13)19)11-14(18)16-10-12-6-4-3-5-7-12/h2-8H,1,9-11H2,(H,16,18)
InChIKeyZLZPRPPLLLLQFJ-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
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N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
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CID 63760913
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
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2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
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N-benzyl-2-pyrazolidin-1-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide (CID 162402355) is N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide is C=CC1=CCN(CC(=O)NCc2ccccc2)C1=O.
What is the InChIKey of N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide?
The InChIKey is ZLZPRPPLLLLQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-13-8-9-17(15(13)19)11-14(18)16-10-12-6-4-3-5-7-12/h2-8H,1,9-11H2,(H,16,18).
What are the key properties of N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide?
N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide is sourced from PubChem (CID 162402355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).