1-ethyl-2,3-dihydroindole

C10H13N — CID 524514

IUPAC1-ethyl-2,3-dihydroindole
SMILESCCN1CCc2ccccc21
InChIInChI=1S/C10H13N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
InChIKeyJJFUPPZOYYMAFC-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.07
Rot. Bonds1

About 1-ethyl-2,3-dihydroindole

1-ethyl-2,3-dihydroindole (PubChem CID 524514) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-ethyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethyl-2,3-dihydroindole
PubChem CID524514
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-ethyl-2,3-dihydroindole
SMILESCCN1CCc2ccccc21
InChIInChI=1S/C10H13N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
InChIKeyJJFUPPZOYYMAFC-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dihydroindole?
The IUPAC name of 1-ethyl-2,3-dihydroindole (CID 524514) is 1-ethyl-2,3-dihydroindole.
What is the SMILES notation for 1-ethyl-2,3-dihydroindole?
The canonical SMILES for 1-ethyl-2,3-dihydroindole is CCN1CCc2ccccc21.
What is the InChIKey of 1-ethyl-2,3-dihydroindole?
The InChIKey is JJFUPPZOYYMAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-ethyl-2,3-dihydroindole?
1-ethyl-2,3-dihydroindole has a molecular weight of 147.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dihydroindole is sourced from PubChem (CID 524514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).