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

C15H18N2O3 — CID 90302077

IUPAC4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCCCc2ccccc2)=C(O)C1=O
InChIInChI=1S/C15H18N2O3/c1-17-10-12(13(18)15(17)20)14(19)16-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,18H,5,8-10H2,1H3,(H,16,19)
InChIKeyFDDFLBRBGQNWLA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.02
Rot. Bonds5

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

4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide (PubChem CID 90302077) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
PubChem CID90302077
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCCCc2ccccc2)=C(O)C1=O
InChIInChI=1S/C15H18N2O3/c1-17-10-12(13(18)15(17)20)14(19)16-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,18H,5,8-10H2,1H3,(H,16,19)
InChIKeyFDDFLBRBGQNWLA-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide (CID 90302077) is 4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCCCc2ccccc2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide?
The InChIKey is FDDFLBRBGQNWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-10-12(13(18)15(17)20)14(19)16-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,18H,5,8-10H2,1H3,(H,16,19).
What are the key properties of 4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide?
4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.02, 5 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-(3-phenylpropyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90302077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).