3-ethyl-7,7a-dihydro-1H-indole

C10H13N — CID 126738087

IUPAC3-ethyl-7,7a-dihydro-1H-indole
SMILESCCC1=CNC2CC=CC=C12
InChIInChI=1S/C10H13N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-5,7,10-11H,2,6H2,1H3
InChIKeyWMPYAASFOVAZKU-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.14
Rot. Bonds1

About 3-ethyl-7,7a-dihydro-1H-indole

3-ethyl-7,7a-dihydro-1H-indole (PubChem CID 126738087) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-ethyl-7,7a-dihydro-1H-indole.

Molecular Properties

Compound Name3-ethyl-7,7a-dihydro-1H-indole
PubChem CID126738087
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-ethyl-7,7a-dihydro-1H-indole
SMILESCCC1=CNC2CC=CC=C12
InChIInChI=1S/C10H13N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-5,7,10-11H,2,6H2,1H3
InChIKeyWMPYAASFOVAZKU-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-7,7a-dihydro-1H-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 3-ethyl-7,7a-dihydro-1H-indole?
The IUPAC name of 3-ethyl-7,7a-dihydro-1H-indole (CID 126738087) is 3-ethyl-7,7a-dihydro-1H-indole.
What is the SMILES notation for 3-ethyl-7,7a-dihydro-1H-indole?
The canonical SMILES for 3-ethyl-7,7a-dihydro-1H-indole is CCC1=CNC2CC=CC=C12.
What is the InChIKey of 3-ethyl-7,7a-dihydro-1H-indole?
The InChIKey is WMPYAASFOVAZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-5,7,10-11H,2,6H2,1H3.
What are the key properties of 3-ethyl-7,7a-dihydro-1H-indole?
3-ethyl-7,7a-dihydro-1H-indole has a molecular weight of 147.22 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7,7a-dihydro-1H-indole is sourced from PubChem (CID 126738087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).