4-chloro-3,3-dimethyl-1H-indol-2-one

C10H10ClNO — CID 53402598

IUPAC4-chloro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cccc(Cl)c21
InChIInChI=1S/C10H10ClNO/c1-10(2)8-6(11)4-3-5-7(8)12-9(10)13/h3-5H,1-2H3,(H,12,13)
InChIKeyPHHZZCQXGFZAPE-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.57
Rot. Bonds

About 4-chloro-3,3-dimethyl-1H-indol-2-one

4-chloro-3,3-dimethyl-1H-indol-2-one (PubChem CID 53402598) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-chloro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name4-chloro-3,3-dimethyl-1H-indol-2-one
PubChem CID53402598
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name4-chloro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cccc(Cl)c21
InChIInChI=1S/C10H10ClNO/c1-10(2)8-6(11)4-3-5-7(8)12-9(10)13/h3-5H,1-2H3,(H,12,13)
InChIKeyPHHZZCQXGFZAPE-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-3,3-dimethyl-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 4-chloro-3,3-dimethyl-1H-indol-2-one (CID 53402598) is 4-chloro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 4-chloro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 4-chloro-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2cccc(Cl)c21.
What is the InChIKey of 4-chloro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is PHHZZCQXGFZAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-10(2)8-6(11)4-3-5-7(8)12-9(10)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 4-chloro-3,3-dimethyl-1H-indol-2-one?
4-chloro-3,3-dimethyl-1H-indol-2-one has a molecular weight of 195.65 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 53402598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).