2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide

C16H18N2O4 — CID 71782135

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C16H18N2O4/c19-13(9-18-14(20)5-6-15(18)21)17-10-16(22)8-7-11-3-1-2-4-12(11)16/h1-4,22H,5-10H2,(H,17,19)
InChIKeyFACBUEJZLJZINU-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.09
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide (PubChem CID 71782135) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide
PubChem CID71782135
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C16H18N2O4/c19-13(9-18-14(20)5-6-15(18)21)17-10-16(22)8-7-11-3-1-2-4-12(11)16/h1-4,22H,5-10H2,(H,17,19)
InChIKeyFACBUEJZLJZINU-UHFFFAOYSA-N
XLogP0.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide (CID 71782135) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide is O=C(CN1C(=O)CCC1=O)NCC1(O)CCc2ccccc21.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide?
The InChIKey is FACBUEJZLJZINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-13(9-18-14(20)5-6-15(18)21)17-10-16(22)8-7-11-3-1-2-4-12(11)16/h1-4,22H,5-10H2,(H,17,19).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide has a molecular weight of 302.33 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide is sourced from PubChem (CID 71782135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).