4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one

C13H15BrN2O — CID 106183597

IUPAC4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(NC2CCc3cc(Br)ccc32)CN1
InChIInChI=1S/C13H15BrN2O/c14-9-2-3-11-8(5-9)1-4-12(11)16-10-6-13(17)15-7-10/h2-3,5,10,12,16H,1,4,6-7H2,(H,15,17)
InChIKeyHGMCTVYSIMYKAX-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.91
Rot. Bonds2

About 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one

4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one (PubChem CID 106183597) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
PubChem CID106183597
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(NC2CCc3cc(Br)ccc32)CN1
InChIInChI=1S/C13H15BrN2O/c14-9-2-3-11-8(5-9)1-4-12(11)16-10-6-13(17)15-7-10/h2-3,5,10,12,16H,1,4,6-7H2,(H,15,17)
InChIKeyHGMCTVYSIMYKAX-UHFFFAOYSA-N
XLogP1.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)cyclohexane-1,4-diamine
CID 55062243
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
CID 106181808
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-2-carboxamide
CID 136578972
4-[[3-(4-bromophenyl)cyclobutyl]amino]pyrrolidin-2-one
CID 114155204
6-bromo-N-(2,3-dihydro-1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626916
8-bromo-1-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 140979626
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one
CID 106184665
3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]cyclohexane-1-carbonitrile
CID 86793846
5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 63420530
5-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]piperidin-2-one
CID 66391444
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192047

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one (CID 106183597) is 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one is O=C1CC(NC2CCc3cc(Br)ccc32)CN1.
What is the InChIKey of 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
The InChIKey is HGMCTVYSIMYKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-9-2-3-11-8(5-9)1-4-12(11)16-10-6-13(17)15-7-10/h2-3,5,10,12,16H,1,4,6-7H2,(H,15,17).
What are the key properties of 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one has a molecular weight of 295.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106183597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).