5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one

C17H17N3O — CID 159219298

IUPAC5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one
SMILESNc1ccc2c(c1)CCN2Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H17N3O/c18-14-2-4-16-12(8-14)5-6-20(16)10-11-1-3-15-13(7-11)9-17(21)19-15/h1-4,7-8H,5-6,9-10,18H2,(H,19,21)
InChIKeyKRMCJPOVVAJKDS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.33
Rot. Bonds2

About 5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one

5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 159219298) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID159219298
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one
SMILESNc1ccc2c(c1)CCN2Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H17N3O/c18-14-2-4-16-12(8-14)5-6-20(16)10-11-1-3-15-13(7-11)9-17(21)19-15/h1-4,7-8H,5-6,9-10,18H2,(H,19,21)
InChIKeyKRMCJPOVVAJKDS-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one 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 5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one (CID 159219298) is 5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one is Nc1ccc2c(c1)CCN2Cc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is KRMCJPOVVAJKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-14-2-4-16-12(8-14)5-6-20(16)10-11-1-3-15-13(7-11)9-17(21)19-15/h1-4,7-8H,5-6,9-10,18H2,(H,19,21).
What are the key properties of 5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one?
5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-2,3-dihydroindol-1-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 159219298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).