5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one

C12H15BrN2O — CID 82190601

IUPAC5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(Br)cc(CCN)cc21
InChIInChI=1S/C12H15BrN2O/c1-2-8-9-5-7(3-4-14)6-10(13)11(9)15-12(8)16/h5-6,8H,2-4,14H2,1H3,(H,15,16)
InChIKeyMIHXVRKFYNONCK-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.40
Rot. Bonds3

About 5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one

5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one (PubChem CID 82190601) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one
PubChem CID82190601
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(Br)cc(CCN)cc21
InChIInChI=1S/C12H15BrN2O/c1-2-8-9-5-7(3-4-14)6-10(13)11(9)15-12(8)16/h5-6,8H,2-4,14H2,1H3,(H,15,16)
InChIKeyMIHXVRKFYNONCK-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one (CID 82190601) is 5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c(Br)cc(CCN)cc21.
What is the InChIKey of 5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one?
The InChIKey is MIHXVRKFYNONCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-2-8-9-5-7(3-4-14)6-10(13)11(9)15-12(8)16/h5-6,8H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one?
5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one has a molecular weight of 283.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-7-bromo-3-ethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).