7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one

C12H15NO2 — CID 80501187

IUPAC7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one
SMILESCOCc1cccc2c1NC(=O)C2(C)C
InChIInChI=1S/C12H15NO2/c1-12(2)9-6-4-5-8(7-15-3)10(9)13-11(12)14/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyKTOOHWUULJCSFN-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.06
Rot. Bonds2

About 7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one

7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 80501187) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one
PubChem CID80501187
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one
SMILESCOCc1cccc2c1NC(=O)C2(C)C
InChIInChI=1S/C12H15NO2/c1-12(2)9-6-4-5-8(7-15-3)10(9)13-11(12)14/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyKTOOHWUULJCSFN-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(methoxymethyl)-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 7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one (CID 80501187) is 7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one is COCc1cccc2c1NC(=O)C2(C)C.
What is the InChIKey of 7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is KTOOHWUULJCSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)9-6-4-5-8(7-15-3)10(9)13-11(12)14/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of 7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one?
7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 80501187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).