6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one

C15H18BrN3O — CID 43752306

IUPAC6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1NC1CCN2CCCC12
InChIInChI=1S/C15H18BrN3O/c16-9-3-4-10-12(8-9)18-15(20)14(10)17-11-5-7-19-6-1-2-13(11)19/h3-4,8,11,13-14,17H,1-2,5-7H2,(H,18,20)
InChIKeyXBAHQSGBQZATLN-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.27
Rot. Bonds2

About 6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one

6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43752306) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one
PubChem CID43752306
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1NC1CCN2CCCC12
InChIInChI=1S/C15H18BrN3O/c16-9-3-4-10-12(8-9)18-15(20)14(10)17-11-5-7-19-6-1-2-13(11)19/h3-4,8,11,13-14,17H,1-2,5-7H2,(H,18,20)
InChIKeyXBAHQSGBQZATLN-UHFFFAOYSA-N
XLogP2.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one with MolForge

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Related Compounds

3-(4-aminopiperidin-1-yl)-6-bromo-1,3-dihydroindol-2-one
CID 43130847
5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
CID 43189941
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 63626581
3-anilino-6-bromo-1,3-dihydroindol-2-one
CID 43190041
6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one
CID 43195433
N-(4-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853442
6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one
CID 83853500
4-bromo-2-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzene-1,2-diamine
CID 65343695
5-bromo-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzoic acid
CID 114895544
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione
CID 82852801
6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one
CID 43190199
6-bromo-3-(3,4-dichloroanilino)-1,3-dihydroindol-2-one
CID 43109568

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one (CID 43752306) is 6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one is O=C1Nc2cc(Br)ccc2C1NC1CCN2CCCC12.
What is the InChIKey of 6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is XBAHQSGBQZATLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c16-9-3-4-10-12(8-9)18-15(20)14(10)17-11-5-7-19-6-1-2-13(11)19/h3-4,8,11,13-14,17H,1-2,5-7H2,(H,18,20).
What are the key properties of 6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one?
6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 336.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43752306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).