5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one

C10H10ClNO2 — CID 53426707

IUPAC5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one
SMILESCOc1cc(Cl)c(C)c2c1NCC2=O
InChIInChI=1S/C10H10ClNO2/c1-5-6(11)3-8(14-2)10-9(5)7(13)4-12-10/h3,12H,4H2,1-2H3
InChIKeyHEHAHXHKWCSFPG-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.27
Rot. Bonds1

About 5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one

5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one (PubChem CID 53426707) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one
PubChem CID53426707
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one
SMILESCOc1cc(Cl)c(C)c2c1NCC2=O
InChIInChI=1S/C10H10ClNO2/c1-5-6(11)3-8(14-2)10-9(5)7(13)4-12-10/h3,12H,4H2,1-2H3
InChIKeyHEHAHXHKWCSFPG-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one?
The IUPAC name of 5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one (CID 53426707) is 5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one.
What is the SMILES notation for 5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one?
The canonical SMILES for 5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one is COc1cc(Cl)c(C)c2c1NCC2=O.
What is the InChIKey of 5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one?
The InChIKey is HEHAHXHKWCSFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-5-6(11)3-8(14-2)10-9(5)7(13)4-12-10/h3,12H,4H2,1-2H3.
What are the key properties of 5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one?
5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one has a molecular weight of 211.65 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-4-methyl-1,2-dihydroindol-3-one is sourced from PubChem (CID 53426707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).