5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

C13H15BrN2O2 — CID 79336739

IUPAC5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(c1cc2c(cc1Br)C(O)C(=O)N2)C1CC1
InChIInChI=1S/C13H15BrN2O2/c1-2-16(7-3-4-7)11-6-10-8(5-9(11)14)12(17)13(18)15-10/h5-7,12,17H,2-4H2,1H3,(H,15,18)
InChIKeyKTZBUTKIMSUDRI-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.42
Rot. Bonds3

About 5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79336739) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79336739
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(c1cc2c(cc1Br)C(O)C(=O)N2)C1CC1
InChIInChI=1S/C13H15BrN2O2/c1-2-16(7-3-4-7)11-6-10-8(5-9(11)14)12(17)13(18)15-10/h5-7,12,17H,2-4H2,1H3,(H,15,18)
InChIKeyKTZBUTKIMSUDRI-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (CID 79336739) is 5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is CCN(c1cc2c(cc1Br)C(O)C(=O)N2)C1CC1.
What is the InChIKey of 5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is KTZBUTKIMSUDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-2-16(7-3-4-7)11-6-10-8(5-9(11)14)12(17)13(18)15-10/h5-7,12,17H,2-4H2,1H3,(H,15,18).
What are the key properties of 5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 311.18 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).