2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide

C13H17N3O3 — CID 90500653

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCCCn1cccc1
InChIInChI=1S/C13H17N3O3/c17-11(10-16-12(18)4-5-13(16)19)14-6-3-9-15-7-1-2-8-15/h1-2,7-8H,3-6,9-10H2,(H,14,17)
InChIKeyXSVAZRNQLWZQHW-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.14
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide (PubChem CID 90500653) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide
PubChem CID90500653
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCCCn1cccc1
InChIInChI=1S/C13H17N3O3/c17-11(10-16-12(18)4-5-13(16)19)14-6-3-9-15-7-1-2-8-15/h1-2,7-8H,3-6,9-10H2,(H,14,17)
InChIKeyXSVAZRNQLWZQHW-UHFFFAOYSA-N
XLogP0.14
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-(3-pyrrol-1-ylpropyl)propanamide
CID 131914341
2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721086
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522589
N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17035020
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
CID 90500499
5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119235203
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide
CID 121016619
N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
CID 90500614
2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20881576
2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride
CID 119777904
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide (CID 90500653) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide is O=C(CN1C(=O)CCC1=O)NCCCn1cccc1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The InChIKey is XSVAZRNQLWZQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-11(10-16-12(18)4-5-13(16)19)14-6-3-9-15-7-1-2-8-15/h1-2,7-8H,3-6,9-10H2,(H,14,17).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-pyrrol-1-ylpropyl)acetamide is sourced from PubChem (CID 90500653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).