1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide

C16H18N4O2 — CID 22223644

IUPAC1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)C1CCCN1C(=O)Nc1ccccc1-n1cccc1
InChIInChI=1S/C16H18N4O2/c17-15(21)14-8-5-11-20(14)16(22)18-12-6-1-2-7-13(12)19-9-3-4-10-19/h1-4,6-7,9-10,14H,5,8,11H2,(H2,17,21)(H,18,22)
InChIKeyHXWNVTGLVCFMMG-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.96
Rot. Bonds3

About 1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide

1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 22223644) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID22223644
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)C1CCCN1C(=O)Nc1ccccc1-n1cccc1
InChIInChI=1S/C16H18N4O2/c17-15(21)14-8-5-11-20(14)16(22)18-12-6-1-2-7-13(12)19-9-3-4-10-19/h1-4,6-7,9-10,14H,5,8,11H2,(H2,17,21)(H,18,22)
InChIKeyHXWNVTGLVCFMMG-UHFFFAOYSA-N
XLogP1.96
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide (CID 22223644) is 1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide is NC(=O)C1CCCN1C(=O)Nc1ccccc1-n1cccc1.
What is the InChIKey of 1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is HXWNVTGLVCFMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-15(21)14-8-5-11-20(14)16(22)18-12-6-1-2-7-13(12)19-9-3-4-10-19/h1-4,6-7,9-10,14H,5,8,11H2,(H2,17,21)(H,18,22).
What are the key properties of 1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide?
1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 22223644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).