4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one

C10H11ClN2O — CID 82234661

IUPAC4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one
SMILESCNC1C(=O)N(C)c2cccc(Cl)c21
InChIInChI=1S/C10H11ClN2O/c1-12-9-8-6(11)4-3-5-7(8)13(2)10(9)14/h3-5,9,12H,1-2H3
InChIKeyLLIYTUWPZJVLBJ-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.58
Rot. Bonds1

About 4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one

4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one (PubChem CID 82234661) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one.

Molecular Properties

Compound Name4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one
PubChem CID82234661
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one
SMILESCNC1C(=O)N(C)c2cccc(Cl)c21
InChIInChI=1S/C10H11ClN2O/c1-12-9-8-6(11)4-3-5-7(8)13(2)10(9)14/h3-5,9,12H,1-2H3
InChIKeyLLIYTUWPZJVLBJ-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one?
The IUPAC name of 4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one (CID 82234661) is 4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one.
What is the SMILES notation for 4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one?
The canonical SMILES for 4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one is CNC1C(=O)N(C)c2cccc(Cl)c21.
What is the InChIKey of 4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one?
The InChIKey is LLIYTUWPZJVLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-12-9-8-6(11)4-3-5-7(8)13(2)10(9)14/h3-5,9,12H,1-2H3.
What are the key properties of 4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one?
4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-(methylamino)-3H-indol-2-one is sourced from PubChem (CID 82234661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).