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

C14H18BrN3O — CID 43203362

IUPAC5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1NCCN1CCCC1
InChIInChI=1S/C14H18BrN3O/c15-10-3-4-12-11(9-10)13(14(19)17-12)16-5-8-18-6-1-2-7-18/h3-4,9,13,16H,1-2,5-8H2,(H,17,19)
InChIKeyPXLBNIRBOCJVDL-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.13
Rot. Bonds4

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

5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one (PubChem CID 43203362) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
PubChem CID43203362
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1NCCN1CCCC1
InChIInChI=1S/C14H18BrN3O/c15-10-3-4-12-11(9-10)13(14(19)17-12)16-5-8-18-6-1-2-7-18/h3-4,9,13,16H,1-2,5-8H2,(H,17,19)
InChIKeyPXLBNIRBOCJVDL-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(2-morpholin-4-ylethylamino)-1,3-dihydroindol-2-one
CID 43195503
5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one
CID 43371475
N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide
CID 43202942
5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one
CID 43189550
6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
CID 43203891
5-bromo-3-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43196127
5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
CID 43189941
5-bromo-3-(2-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43195154
5-bromo-3-(3-ethenoxypropylamino)-1,3-dihydroindol-2-one
CID 43207251
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
5-bromo-3-[(4-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43196080
2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide
CID 43310910

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one (CID 43203362) is 5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1NCCN1CCCC1.
What is the InChIKey of 5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one?
The InChIKey is PXLBNIRBOCJVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-10-3-4-12-11(9-10)13(14(19)17-12)16-5-8-18-6-1-2-7-18/h3-4,9,13,16H,1-2,5-8H2,(H,17,19).
What are the key properties of 5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one?
5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one has a molecular weight of 324.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43203362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).