2,3,3-trimethyl-5,6-dihydroindole

C11H15N — CID 130352800

IUPAC2,3,3-trimethyl-5,6-dihydroindole
SMILESCC1=NC2=CCCC=C2C1(C)C
InChIInChI=1S/C11H15N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h6-7H,4-5H2,1-3H3
InChIKeyONFNLMOBRUWOMH-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.09
Rot. Bonds

About 2,3,3-trimethyl-5,6-dihydroindole

2,3,3-trimethyl-5,6-dihydroindole (PubChem CID 130352800) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2,3,3-trimethyl-5,6-dihydroindole.

Molecular Properties

Compound Name2,3,3-trimethyl-5,6-dihydroindole
PubChem CID130352800
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2,3,3-trimethyl-5,6-dihydroindole
SMILESCC1=NC2=CCCC=C2C1(C)C
InChIInChI=1S/C11H15N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h6-7H,4-5H2,1-3H3
InChIKeyONFNLMOBRUWOMH-UHFFFAOYSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,3-trimethyl-5,6-dihydroindole 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 2,3,3-trimethyl-5,6-dihydroindole?
The IUPAC name of 2,3,3-trimethyl-5,6-dihydroindole (CID 130352800) is 2,3,3-trimethyl-5,6-dihydroindole.
What is the SMILES notation for 2,3,3-trimethyl-5,6-dihydroindole?
The canonical SMILES for 2,3,3-trimethyl-5,6-dihydroindole is CC1=NC2=CCCC=C2C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-5,6-dihydroindole?
The InChIKey is ONFNLMOBRUWOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-5,6-dihydroindole?
2,3,3-trimethyl-5,6-dihydroindole has a molecular weight of 161.25 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-5,6-dihydroindole is sourced from PubChem (CID 130352800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).