5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one

C10H11BrN2O — CID 24709706

IUPAC5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C10H11BrN2O/c1-2-12-9-7-5-6(11)3-4-8(7)13-10(9)14/h3-5,9,12H,2H2,1H3,(H,13,14)
InChIKeyAZWXLRCDZSJXSP-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.05
Rot. Bonds2

About 5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one

5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one (PubChem CID 24709706) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one
PubChem CID24709706
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C10H11BrN2O/c1-2-12-9-7-5-6(11)3-4-8(7)13-10(9)14/h3-5,9,12H,2H2,1H3,(H,13,14)
InChIKeyAZWXLRCDZSJXSP-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one (CID 24709706) is 5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one?
The InChIKey is AZWXLRCDZSJXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-2-12-9-7-5-6(11)3-4-8(7)13-10(9)14/h3-5,9,12H,2H2,1H3,(H,13,14).
What are the key properties of 5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one has a molecular weight of 255.11 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 24709706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).