5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one

C14H19N3O — CID 115210113

IUPAC5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCCC3CCCN3)ccc2N1
InChIInChI=1S/C14H19N3O/c18-14-9-10-8-12(3-4-13(10)17-14)16-7-5-11-2-1-6-15-11/h3-4,8,11,15-16H,1-2,5-7,9H2,(H,17,18)
InChIKeyRNUZZHNJTRQRTK-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.74
Rot. Bonds4

About 5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one

5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one (PubChem CID 115210113) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one
PubChem CID115210113
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCCC3CCCN3)ccc2N1
InChIInChI=1S/C14H19N3O/c18-14-9-10-8-12(3-4-13(10)17-14)16-7-5-11-2-1-6-15-11/h3-4,8,11,15-16H,1-2,5-7,9H2,(H,17,18)
InChIKeyRNUZZHNJTRQRTK-UHFFFAOYSA-N
XLogP1.74
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-dihydroindole-5-sulfonamide
CID 104972452
5-[2-(pyrrolidin-2-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115208383
5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one
CID 115223650
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104973157
2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
CID 115130733
6-bromo-2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 83231292
5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one
CID 115119380
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
5-(morpholin-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 115237456
N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide
CID 114794395
2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210125
4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 104973347

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one (CID 115210113) is 5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one is O=C1Cc2cc(NCCC3CCCN3)ccc2N1.
What is the InChIKey of 5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one?
The InChIKey is RNUZZHNJTRQRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-9-10-8-12(3-4-13(10)17-14)16-7-5-11-2-1-6-15-11/h3-4,8,11,15-16H,1-2,5-7,9H2,(H,17,18).
What are the key properties of 5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one?
5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-2-ylethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 115210113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).