5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one

C15H21N3O — CID 82301189

IUPAC5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)CN3CCCC3)ccc21
InChIInChI=1S/C15H21N3O/c1-17-14-5-4-11(8-12(14)9-15(17)19)13(16)10-18-6-2-3-7-18/h4-5,8,13H,2-3,6-7,9-10,16H2,1H3
InChIKeyAETAJOXVTPANBG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.30
Rot. Bonds3

About 5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one

5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one (PubChem CID 82301189) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
PubChem CID82301189
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)CN3CCCC3)ccc21
InChIInChI=1S/C15H21N3O/c1-17-14-5-4-11(8-12(14)9-15(17)19)13(16)10-18-6-2-3-7-18/h4-5,8,13H,2-3,6-7,9-10,16H2,1H3
InChIKeyAETAJOXVTPANBG-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-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

Related Compounds

5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174
5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
CID 103162728
5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
CID 43119558
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
CID 43119634
3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116848766
5-[amino-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 43119586
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119610
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one (CID 82301189) is 5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(N)CN3CCCC3)ccc21.
What is the InChIKey of 5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one?
The InChIKey is AETAJOXVTPANBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-14-5-4-11(8-12(14)9-15(17)19)13(16)10-18-6-2-3-7-18/h4-5,8,13H,2-3,6-7,9-10,16H2,1H3.
What are the key properties of 5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one?
5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82301189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).