3-ethyl-1-methyl-3a,4-dihydroindole

C11H15N — CID 163891691

IUPAC3-ethyl-1-methyl-3a,4-dihydroindole
SMILESCCC1=CN(C)C2=CC=CCC12
InChIInChI=1S/C11H15N/c1-3-9-8-12(2)11-7-5-4-6-10(9)11/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyQCBNTCWGLIUUBD-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.69
Rot. Bonds1

About 3-ethyl-1-methyl-3a,4-dihydroindole

3-ethyl-1-methyl-3a,4-dihydroindole (PubChem CID 163891691) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-ethyl-1-methyl-3a,4-dihydroindole.

Molecular Properties

Compound Name3-ethyl-1-methyl-3a,4-dihydroindole
PubChem CID163891691
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-ethyl-1-methyl-3a,4-dihydroindole
SMILESCCC1=CN(C)C2=CC=CCC12
InChIInChI=1S/C11H15N/c1-3-9-8-12(2)11-7-5-4-6-10(9)11/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyQCBNTCWGLIUUBD-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-1-methyl-3a,4-dihydroindole with MolForge

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

Launch Full Analysis

Related Compounds

Vinyltetrahydroindole
CID 66971852
1-Ethyltetrahydroindole
CID 129798269
3-Ethyl-6-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-2,6,8(12)-triene
CID 142163112
N,N,3-trimethyl-2,3-dihydropentalen-1-amine
CID 90987640
1,9a,10,10a-Tetrahydropyrido[1,2-a]indole
CID 20030075
3,4-Diethyl-1-methyl-2,3,3a,4-tetrahydroindole
CID 20231131
N,N-dimethyl-3a,7a-dihydro-3H-inden-1-amine
CID 20675200
N-methyl tetrahydroindole
CID 53896476
2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
CID 58170797
1,4-Dimethyl-2,3,4,5-tetrahydrocyclopenta[b]pyridine
CID 58449484
1,4-Dimethyl-2,3,4,7-tetrahydrocyclopenta[b]pyridine
CID 58449568
1-Methyl-3-(2-methylpropyl)-3a,7a-dihydroindole
CID 58916423

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-3a,4-dihydroindole?
The IUPAC name of 3-ethyl-1-methyl-3a,4-dihydroindole (CID 163891691) is 3-ethyl-1-methyl-3a,4-dihydroindole.
What is the SMILES notation for 3-ethyl-1-methyl-3a,4-dihydroindole?
The canonical SMILES for 3-ethyl-1-methyl-3a,4-dihydroindole is CCC1=CN(C)C2=CC=CCC12.
What is the InChIKey of 3-ethyl-1-methyl-3a,4-dihydroindole?
The InChIKey is QCBNTCWGLIUUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-9-8-12(2)11-7-5-4-6-10(9)11/h4-5,7-8,10H,3,6H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-3a,4-dihydroindole?
3-ethyl-1-methyl-3a,4-dihydroindole has a molecular weight of 161.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-3a,4-dihydroindole is sourced from PubChem (CID 163891691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).