5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one

C14H19N3O — CID 115208250

IUPAC5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
SMILESNCc1ccc2c(c1)CC(=O)N2CC1CCCN1
InChIInChI=1S/C14H19N3O/c15-8-10-3-4-13-11(6-10)7-14(18)17(13)9-12-2-1-5-16-12/h3-4,6,12,16H,1-2,5,7-9,15H2
InChIKeyKZGCRYFJHCJPEN-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.79
Rot. Bonds3

About 5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one

5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one (PubChem CID 115208250) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
PubChem CID115208250
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
SMILESNCc1ccc2c(c1)CC(=O)N2CC1CCCN1
InChIInChI=1S/C14H19N3O/c15-8-10-3-4-13-11(6-10)7-14(18)17(13)9-12-2-1-5-16-12/h3-4,6,12,16H,1-2,5,7-9,15H2
InChIKeyKZGCRYFJHCJPEN-UHFFFAOYSA-N
XLogP0.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-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

7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
CID 105490958
1-(3-amino-2,2-dimethylpropyl)-5-(aminomethyl)-3H-indol-2-one
CID 115200017
7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
CID 105494319
5-amino-1-(cyclobutylmethyl)-3H-indol-2-one
CID 65457808
1-(3-aminobutyl)-5-(aminomethyl)-3H-indol-2-one
CID 115199281
5-amino-1-(cyclohexylmethyl)-3H-indol-2-one
CID 43382539
5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
CID 115226042
methyl 4-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]butanoate
CID 115233425
6-amino-4-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 115209200
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
5-bromo-1-(piperidin-4-ylmethyl)-3H-indol-2-one
CID 84645182
1-(piperidin-2-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 117030559

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
The IUPAC name of 5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one (CID 115208250) is 5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one is NCc1ccc2c(c1)CC(=O)N2CC1CCCN1.
What is the InChIKey of 5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
The InChIKey is KZGCRYFJHCJPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-8-10-3-4-13-11(6-10)7-14(18)17(13)9-12-2-1-5-16-12/h3-4,6,12,16H,1-2,5,7-9,15H2.
What are the key properties of 5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one has a molecular weight of 245.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 115208250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).