3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one

C14H16BrN3O2 — CID 43255083

IUPAC3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
SMILESNC1C(=O)N(CC(=O)N2CCCC2)c2ccc(Br)cc21
InChIInChI=1S/C14H16BrN3O2/c15-9-3-4-11-10(7-9)13(16)14(20)18(11)8-12(19)17-5-1-2-6-17/h3-4,7,13H,1-2,5-6,8,16H2
InChIKeyXEXSMBJURYGHJP-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.42
Rot. Bonds2

About 3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one

3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one (PubChem CID 43255083) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
PubChem CID43255083
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
SMILESNC1C(=O)N(CC(=O)N2CCCC2)c2ccc(Br)cc21
InChIInChI=1S/C14H16BrN3O2/c15-9-3-4-11-10(7-9)13(16)14(20)18(11)8-12(19)17-5-1-2-6-17/h3-4,7,13H,1-2,5-6,8,16H2
InChIKeyXEXSMBJURYGHJP-UHFFFAOYSA-N
XLogP1.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one
CID 43255301
2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide
CID 43255081
2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N-tert-butylacetamide
CID 43255085
3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
CID 43255070
(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
CID 43255280
3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 18612553
2-(3-amino-6-bromo-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255271
2-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione
CID 119519112
6-bromo-1-(2-morpholin-4-yl-2-oxoethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136558173
5-bromo-2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119416655
2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione
CID 119595018

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one?
The IUPAC name of 3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one (CID 43255083) is 3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one.
What is the SMILES notation for 3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one?
The canonical SMILES for 3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one is NC1C(=O)N(CC(=O)N2CCCC2)c2ccc(Br)cc21.
What is the InChIKey of 3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one?
The InChIKey is XEXSMBJURYGHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c15-9-3-4-11-10(7-9)13(16)14(20)18(11)8-12(19)17-5-1-2-6-17/h3-4,7,13H,1-2,5-6,8,16H2.
What are the key properties of 3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one?
3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one has a molecular weight of 338.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-indol-2-one is sourced from PubChem (CID 43255083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).