5-chloro-1-methyl-3H-indol-2-one

C9H8ClNO — CID 10976112

IUPAC5-chloro-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(Cl)ccc21
InChIInChI=1S/C9H8ClNO/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3
InChIKeyONTWHPOGWLOYFI-UHFFFAOYSA-N
MW181.62 g/mol
LogP1.86
Rot. Bonds

About 5-chloro-1-methyl-3H-indol-2-one

5-chloro-1-methyl-3H-indol-2-one (PubChem CID 10976112) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 5-chloro-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-chloro-1-methyl-3H-indol-2-one
PubChem CID10976112
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name5-chloro-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(Cl)ccc21
InChIInChI=1S/C9H8ClNO/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3
InChIKeyONTWHPOGWLOYFI-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3H-indol-2-one?
The IUPAC name of 5-chloro-1-methyl-3H-indol-2-one (CID 10976112) is 5-chloro-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-chloro-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-chloro-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-3H-indol-2-one?
The InChIKey is ONTWHPOGWLOYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3.
What are the key properties of 5-chloro-1-methyl-3H-indol-2-one?
5-chloro-1-methyl-3H-indol-2-one has a molecular weight of 181.62 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3H-indol-2-one is sourced from PubChem (CID 10976112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).