3,3-dimethyl-4,5-dihydroindole

C10H13N — CID 123231392

IUPAC3,3-dimethyl-4,5-dihydroindole
SMILESCC1(C)C=NC2=C1CCC=C2
InChIInChI=1S/C10H13N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h4,6-7H,3,5H2,1-2H3
InChIKeyQSWXMVKUEUJQBB-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.70
Rot. Bonds

About 3,3-dimethyl-4,5-dihydroindole

3,3-dimethyl-4,5-dihydroindole (PubChem CID 123231392) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3,3-dimethyl-4,5-dihydroindole.

Molecular Properties

Compound Name3,3-dimethyl-4,5-dihydroindole
PubChem CID123231392
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3,3-dimethyl-4,5-dihydroindole
SMILESCC1(C)C=NC2=C1CCC=C2
InChIInChI=1S/C10H13N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h4,6-7H,3,5H2,1-2H3
InChIKeyQSWXMVKUEUJQBB-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-4,5-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 3,3-dimethyl-4,5-dihydroindole?
The IUPAC name of 3,3-dimethyl-4,5-dihydroindole (CID 123231392) is 3,3-dimethyl-4,5-dihydroindole.
What is the SMILES notation for 3,3-dimethyl-4,5-dihydroindole?
The canonical SMILES for 3,3-dimethyl-4,5-dihydroindole is CC1(C)C=NC2=C1CCC=C2.
What is the InChIKey of 3,3-dimethyl-4,5-dihydroindole?
The InChIKey is QSWXMVKUEUJQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 3,3-dimethyl-4,5-dihydroindole?
3,3-dimethyl-4,5-dihydroindole has a molecular weight of 147.22 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4,5-dihydroindole is sourced from PubChem (CID 123231392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).