3-chloro-1-methyl-3-(trichloromethyl)indol-2-one

C10H7Cl4NO — CID 121215854

IUPAC3-chloro-1-methyl-3-(trichloromethyl)indol-2-one
SMILESCN1C(=O)C(Cl)(C(Cl)(Cl)Cl)c2ccccc21
InChIInChI=1S/C10H7Cl4NO/c1-15-7-5-3-2-4-6(7)9(11,8(15)16)10(12,13)14/h2-5H,1H3
InChIKeyIRLYZGXMMHQFGO-UHFFFAOYSA-N
MW298.98 g/mol
LogP3.47
Rot. Bonds

About 3-chloro-1-methyl-3-(trichloromethyl)indol-2-one

3-chloro-1-methyl-3-(trichloromethyl)indol-2-one (PubChem CID 121215854) has the molecular formula C10H7Cl4NO and a molecular weight of 298.98 g/mol. Its IUPAC name is 3-chloro-1-methyl-3-(trichloromethyl)indol-2-one.

Molecular Properties

Compound Name3-chloro-1-methyl-3-(trichloromethyl)indol-2-one
PubChem CID121215854
Molecular FormulaC10H7Cl4NO
Molecular Weight298.98 g/mol
Exact Mass296.93
IUPAC Name3-chloro-1-methyl-3-(trichloromethyl)indol-2-one
SMILESCN1C(=O)C(Cl)(C(Cl)(Cl)Cl)c2ccccc21
InChIInChI=1S/C10H7Cl4NO/c1-15-7-5-3-2-4-6(7)9(11,8(15)16)10(12,13)14/h2-5H,1H3
InChIKeyIRLYZGXMMHQFGO-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.98
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one
CID 139037177
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
9,9,10-trimethylacridine
CID 610451
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
1'-methylspiro[benzimidazole-2,3'-indole]-2'-one
CID 659228

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-3-(trichloromethyl)indol-2-one?
The IUPAC name of 3-chloro-1-methyl-3-(trichloromethyl)indol-2-one (CID 121215854) is 3-chloro-1-methyl-3-(trichloromethyl)indol-2-one.
What is the SMILES notation for 3-chloro-1-methyl-3-(trichloromethyl)indol-2-one?
The canonical SMILES for 3-chloro-1-methyl-3-(trichloromethyl)indol-2-one is CN1C(=O)C(Cl)(C(Cl)(Cl)Cl)c2ccccc21.
What is the InChIKey of 3-chloro-1-methyl-3-(trichloromethyl)indol-2-one?
The InChIKey is IRLYZGXMMHQFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl4NO/c1-15-7-5-3-2-4-6(7)9(11,8(15)16)10(12,13)14/h2-5H,1H3.
What are the key properties of 3-chloro-1-methyl-3-(trichloromethyl)indol-2-one?
3-chloro-1-methyl-3-(trichloromethyl)indol-2-one has a molecular weight of 298.98 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-3-(trichloromethyl)indol-2-one is sourced from PubChem (CID 121215854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).