4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide

C14H16N2O3 — CID 3793686

IUPAC4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCCC(=O)c1c[nH]c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C14H16N2O3/c1-2-4-13(17)10-7-12(15-8-10)14(18)16-9-11-5-3-6-19-11/h3,5-8,15H,2,4,9H2,1H3,(H,16,18)
InChIKeyKLHQMDIXJAJXCI-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.52
Rot. Bonds6

About 4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 3793686) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID3793686
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCCC(=O)c1c[nH]c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C14H16N2O3/c1-2-4-13(17)10-7-12(15-8-10)14(18)16-9-11-5-3-6-19-11/h3,5-8,15H,2,4,9H2,1H3,(H,16,18)
InChIKeyKLHQMDIXJAJXCI-UHFFFAOYSA-N
XLogP2.52
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-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-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 3793686) is 4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide is CCCC(=O)c1c[nH]c(C(=O)NCc2ccco2)c1.
What is the InChIKey of 4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is KLHQMDIXJAJXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-4-13(17)10-7-12(15-8-10)14(18)16-9-11-5-3-6-19-11/h3,5-8,15H,2,4,9H2,1H3,(H,16,18).
What are the key properties of 4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3793686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).