5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one

C15H21N3O — CID 115208383

IUPAC5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCNCC3CCCN3)ccc2N1
InChIInChI=1S/C15H21N3O/c19-15-9-12-8-11(3-4-14(12)18-15)5-7-16-10-13-2-1-6-17-13/h3-4,8,13,16-17H,1-2,5-7,9-10H2,(H,18,19)
InChIKeyRQEKKJJXMNEFEH-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.07
Rot. Bonds5

About 5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one

5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one (PubChem CID 115208383) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
PubChem CID115208383
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCNCC3CCCN3)ccc2N1
InChIInChI=1S/C15H21N3O/c19-15-9-12-8-11(3-4-14(12)18-15)5-7-16-10-13-2-1-6-17-13/h3-4,8,13,16-17H,1-2,5-7,9-10H2,(H,18,19)
InChIKeyRQEKKJJXMNEFEH-UHFFFAOYSA-N
XLogP1.07
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-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

Related Compounds

5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115261107
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
CID 115223207
5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one
CID 115210113
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide
CID 104972452
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 68725719
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131

Frequently Asked Questions

What is the IUPAC name of 5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one (CID 115208383) is 5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(CCNCC3CCCN3)ccc2N1.
What is the InChIKey of 5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is RQEKKJJXMNEFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15-9-12-8-11(3-4-14(12)18-15)5-7-16-10-13-2-1-6-17-13/h3-4,8,13,16-17H,1-2,5-7,9-10H2,(H,18,19).
What are the key properties of 5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one?
5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115208383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).