4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole

C10H17N — CID 151468625

IUPAC4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole
SMILESCCC1CCC=C2NCCC21
InChIInChI=1S/C10H17N/c1-2-8-4-3-5-10-9(8)6-7-11-10/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyPJZLZFIJSHHQKB-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.30
Rot. Bonds1

About 4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole

4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole (PubChem CID 151468625) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole.

Molecular Properties

Compound Name4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole
PubChem CID151468625
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole
SMILESCCC1CCC=C2NCCC21
InChIInChI=1S/C10H17N/c1-2-8-4-3-5-10-9(8)6-7-11-10/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyPJZLZFIJSHHQKB-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole?
The IUPAC name of 4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole (CID 151468625) is 4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole.
What is the SMILES notation for 4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole?
The canonical SMILES for 4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole is CCC1CCC=C2NCCC21.
What is the InChIKey of 4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole?
The InChIKey is PJZLZFIJSHHQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-8-4-3-5-10-9(8)6-7-11-10/h5,8-9,11H,2-4,6-7H2,1H3.
What are the key properties of 4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole?
4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole has a molecular weight of 151.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,3a,4,5,6-hexahydro-1H-indole is sourced from PubChem (CID 151468625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).