4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide

C14H16N2O3 — CID 89489375

IUPAC4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCCc2ccccc2)=C(O)C1=O
InChIInChI=1S/C14H16N2O3/c1-16-9-11(12(17)14(16)19)13(18)15-8-7-10-5-3-2-4-6-10/h2-6,17H,7-9H2,1H3,(H,15,18)
InChIKeyLOQCGFYTTYMYAV-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.63
Rot. Bonds4

About 4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide

4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide (PubChem CID 89489375) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide
PubChem CID89489375
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCCc2ccccc2)=C(O)C1=O
InChIInChI=1S/C14H16N2O3/c1-16-9-11(12(17)14(16)19)13(18)15-8-7-10-5-3-2-4-6-10/h2-6,17H,7-9H2,1H3,(H,15,18)
InChIKeyLOQCGFYTTYMYAV-UHFFFAOYSA-N
XLogP0.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide (CID 89489375) is 4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCCc2ccccc2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide?
The InChIKey is LOQCGFYTTYMYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-9-11(12(17)14(16)19)13(18)15-8-7-10-5-3-2-4-6-10/h2-6,17H,7-9H2,1H3,(H,15,18).
What are the key properties of 4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide?
4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89489375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).