5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one

C13H15ClN2O2 — CID 79349836

IUPAC5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OC3CCC3)c(Cl)cc21
InChIInChI=1S/C13H15ClN2O2/c1-15-12-8-5-9(14)11(18-7-3-2-4-7)6-10(8)16-13(12)17/h5-7,12,15H,2-4H2,1H3,(H,16,17)
InChIKeyAJUQFGPFSUFKMG-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.48
Rot. Bonds3

About 5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one

5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 79349836) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID79349836
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(OC3CCC3)c(Cl)cc21
InChIInChI=1S/C13H15ClN2O2/c1-15-12-8-5-9(14)11(18-7-3-2-4-7)6-10(8)16-13(12)17/h5-7,12,15H,2-4H2,1H3,(H,16,17)
InChIKeyAJUQFGPFSUFKMG-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one (CID 79349836) is 5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(OC3CCC3)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is AJUQFGPFSUFKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-15-12-8-5-9(14)11(18-7-3-2-4-7)6-10(8)16-13(12)17/h5-7,12,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one?
5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 266.73 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).