1,3,3-trimethyl-4,5-dihydro-2H-indole

C11H17N — CID 89257158

IUPAC1,3,3-trimethyl-4,5-dihydro-2H-indole
SMILESCN1CC(C)(C)C2=C1C=CCC2
InChIInChI=1S/C11H17N/c1-11(2)8-12(3)10-7-5-4-6-9(10)11/h5,7H,4,6,8H2,1-3H3
InChIKeyDWGJCUAUYYXMLJ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.56
Rot. Bonds

About 1,3,3-trimethyl-4,5-dihydro-2H-indole

1,3,3-trimethyl-4,5-dihydro-2H-indole (PubChem CID 89257158) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1,3,3-trimethyl-4,5-dihydro-2H-indole.

Molecular Properties

Compound Name1,3,3-trimethyl-4,5-dihydro-2H-indole
PubChem CID89257158
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1,3,3-trimethyl-4,5-dihydro-2H-indole
SMILESCN1CC(C)(C)C2=C1C=CCC2
InChIInChI=1S/C11H17N/c1-11(2)8-12(3)10-7-5-4-6-9(10)11/h5,7H,4,6,8H2,1-3H3
InChIKeyDWGJCUAUYYXMLJ-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3,3-trimethyl-4,5-dihydro-2H-indole 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 1,3,3-trimethyl-4,5-dihydro-2H-indole?
The IUPAC name of 1,3,3-trimethyl-4,5-dihydro-2H-indole (CID 89257158) is 1,3,3-trimethyl-4,5-dihydro-2H-indole.
What is the SMILES notation for 1,3,3-trimethyl-4,5-dihydro-2H-indole?
The canonical SMILES for 1,3,3-trimethyl-4,5-dihydro-2H-indole is CN1CC(C)(C)C2=C1C=CCC2.
What is the InChIKey of 1,3,3-trimethyl-4,5-dihydro-2H-indole?
The InChIKey is DWGJCUAUYYXMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-11(2)8-12(3)10-7-5-4-6-9(10)11/h5,7H,4,6,8H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-4,5-dihydro-2H-indole?
1,3,3-trimethyl-4,5-dihydro-2H-indole has a molecular weight of 163.26 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-4,5-dihydro-2H-indole is sourced from PubChem (CID 89257158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).