6-ethyl-3-methyl-2,3-dihydro-1H-indole

C11H15N — CID 88995229

IUPAC6-ethyl-3-methyl-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)NCC2C
InChIInChI=1S/C11H15N/c1-3-9-4-5-10-8(2)7-12-11(10)6-9/h4-6,8,12H,3,7H2,1-2H3
InChIKeySLTOVZQIHGQCDE-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.78
Rot. Bonds1

About 6-ethyl-3-methyl-2,3-dihydro-1H-indole

6-ethyl-3-methyl-2,3-dihydro-1H-indole (PubChem CID 88995229) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 6-ethyl-3-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-ethyl-3-methyl-2,3-dihydro-1H-indole
PubChem CID88995229
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name6-ethyl-3-methyl-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)NCC2C
InChIInChI=1S/C11H15N/c1-3-9-4-5-10-8(2)7-12-11(10)6-9/h4-6,8,12H,3,7H2,1-2H3
InChIKeySLTOVZQIHGQCDE-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 6-ethyl-3-methyl-2,3-dihydro-1H-indole (CID 88995229) is 6-ethyl-3-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-ethyl-3-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-ethyl-3-methyl-2,3-dihydro-1H-indole is CCc1ccc2c(c1)NCC2C.
What is the InChIKey of 6-ethyl-3-methyl-2,3-dihydro-1H-indole?
The InChIKey is SLTOVZQIHGQCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-9-4-5-10-8(2)7-12-11(10)6-9/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-2,3-dihydro-1H-indole?
6-ethyl-3-methyl-2,3-dihydro-1H-indole has a molecular weight of 161.25 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 88995229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).