1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid

C15H18N2O3 — CID 103354763

IUPAC1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCN1CCc2cc(CN3C(=O)CCC3C(=O)O)ccc21
InChIInChI=1S/C15H18N2O3/c1-16-7-6-11-8-10(2-3-12(11)16)9-17-13(15(19)20)4-5-14(17)18/h2-3,8,13H,4-7,9H2,1H3,(H,19,20)
InChIKeyOXOQZTKNGSJLIO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.25
Rot. Bonds3

About 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid

1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 103354763) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID103354763
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCN1CCc2cc(CN3C(=O)CCC3C(=O)O)ccc21
InChIInChI=1S/C15H18N2O3/c1-16-7-6-11-8-10(2-3-12(11)16)9-17-13(15(19)20)4-5-14(17)18/h2-3,8,13H,4-7,9H2,1H3,(H,19,20)
InChIKeyOXOQZTKNGSJLIO-UHFFFAOYSA-N
XLogP1.25
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid 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 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CID 103354763) is 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid is CN1CCc2cc(CN3C(=O)CCC3C(=O)O)ccc21.
What is the InChIKey of 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is OXOQZTKNGSJLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16-7-6-11-8-10(2-3-12(11)16)9-17-13(15(19)20)4-5-14(17)18/h2-3,8,13H,4-7,9H2,1H3,(H,19,20).
What are the key properties of 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103354763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).