2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione

C17H15N3O5 — CID 168558901

IUPAC2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione
SMILESO=C1C=C(Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)C(=O)N1CCO
InChIInChI=1S/C17H15N3O5/c21-6-5-19-14(22)8-13(17(19)25)18-9-1-4-11-12(7-9)16(24)20(15(11)23)10-2-3-10/h1,4,7-8,10,18,21H,2-3,5-6H2
InChIKeyICLBDHBAAGEQSJ-UHFFFAOYSA-N
MW341.32 g/mol
LogP0.10
Rot. Bonds5

About 2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione

2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione (PubChem CID 168558901) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione
PubChem CID168558901
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione
SMILESO=C1C=C(Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)C(=O)N1CCO
InChIInChI=1S/C17H15N3O5/c21-6-5-19-14(22)8-13(17(19)25)18-9-1-4-11-12(7-9)16(24)20(15(11)23)10-2-3-10/h1,4,7-8,10,18,21H,2-3,5-6H2
InChIKeyICLBDHBAAGEQSJ-UHFFFAOYSA-N
XLogP0.10
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione 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 2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione?
The IUPAC name of 2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione (CID 168558901) is 2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione.
What is the SMILES notation for 2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione?
The canonical SMILES for 2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione is O=C1C=C(Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)C(=O)N1CCO.
What is the InChIKey of 2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione?
The InChIKey is ICLBDHBAAGEQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c21-6-5-19-14(22)8-13(17(19)25)18-9-1-4-11-12(7-9)16(24)20(15(11)23)10-2-3-10/h1,4,7-8,10,18,21H,2-3,5-6H2.
What are the key properties of 2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione?
2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione has a molecular weight of 341.32 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]isoindole-1,3-dione is sourced from PubChem (CID 168558901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).