1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione

C16H17BrN2O3 — CID 100772298

IUPAC1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
SMILESC[C@@H]1Cc2cc(Br)ccc2N1C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C16H17BrN2O3/c1-10-8-11-9-12(17)2-3-13(11)19(10)16(22)6-7-18-14(20)4-5-15(18)21/h2-3,9-10H,4-8H2,1H3/t10-/m1/s1
InChIKeyMBQLWDMBHJOSBK-SNVBAGLBSA-N
MW365.23 g/mol
LogP2.27
Rot. Bonds3

About 1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione

1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 100772298) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
PubChem CID100772298
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
SMILESC[C@@H]1Cc2cc(Br)ccc2N1C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C16H17BrN2O3/c1-10-8-11-9-12(17)2-3-13(11)19(10)16(22)6-7-18-14(20)4-5-15(18)21/h2-3,9-10H,4-8H2,1H3/t10-/m1/s1
InChIKeyMBQLWDMBHJOSBK-SNVBAGLBSA-N
XLogP2.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100784868
2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440
4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 133239352
(3aR,7aR)-2-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 129419249
1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100772133
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-ethylbenzenesulfonamide
CID 125049221
2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113098893
1-[5-(2-bromopentyl)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 82259375
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
CID 133178298
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
CID 114367699
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 133239491
4-bromo-N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-cyclohexylbenzenesulfonamide
CID 100790806

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione (CID 100772298) is 1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione is C[C@@H]1Cc2cc(Br)ccc2N1C(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is MBQLWDMBHJOSBK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-10-8-11-9-12(17)2-3-13(11)19(10)16(22)6-7-18-14(20)4-5-15(18)21/h2-3,9-10H,4-8H2,1H3/t10-/m1/s1.
What are the key properties of 1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 365.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 100772298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).