4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one

C15H19N3O — CID 168660253

IUPAC4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C15H19N3O/c16-9-11-7-15(19)18(10-11)6-5-13-8-12-3-1-2-4-14(12)17-13/h1-4,8,11,17H,5-7,9-10,16H2
InChIKeyBSUHNGXOBNSNHS-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.52
Rot. Bonds4

About 4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one

4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 168660253) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
PubChem CID168660253
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C15H19N3O/c16-9-11-7-15(19)18(10-11)6-5-13-8-12-3-1-2-4-14(12)17-13/h1-4,8,11,17H,5-7,9-10,16H2
InChIKeyBSUHNGXOBNSNHS-UHFFFAOYSA-N
XLogP1.52
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-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

4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168700196
4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168657252
methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694187
1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367403
1-[2-(1H-indol-2-yl)ethyl]piperidin-2-one
CID 14090373
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168660240
4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 71683623
4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one
CID 168660252
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168658985
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663130
1-(2-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671011

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one (CID 168660253) is 4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one is NCC1CC(=O)N(CCc2cc3ccccc3[nH]2)C1.
What is the InChIKey of 4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is BSUHNGXOBNSNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-11-7-15(19)18(10-11)6-5-13-8-12-3-1-2-4-14(12)17-13/h1-4,8,11,17H,5-7,9-10,16H2.
What are the key properties of 4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168660253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).