6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole

C19H21N — CID 118231275

IUPAC6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole
SMILESCCN1CCc2ccc(-c3ccc4c(c3)CCC4)cc21
InChIInChI=1S/C19H21N/c1-2-20-11-10-15-7-9-18(13-19(15)20)17-8-6-14-4-3-5-16(14)12-17/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyGQKREEBSYRLPPC-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.22
Rot. Bonds2

About 6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole

6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole (PubChem CID 118231275) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole
PubChem CID118231275
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole
SMILESCCN1CCc2ccc(-c3ccc4c(c3)CCC4)cc21
InChIInChI=1S/C19H21N/c1-2-20-11-10-15-7-9-18(13-19(15)20)17-8-6-14-4-3-5-16(14)12-17/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyGQKREEBSYRLPPC-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole (CID 118231275) is 6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole is CCN1CCc2ccc(-c3ccc4c(c3)CCC4)cc21.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole?
The InChIKey is GQKREEBSYRLPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-2-20-11-10-15-7-9-18(13-19(15)20)17-8-6-14-4-3-5-16(14)12-17/h6-9,12-13H,2-5,10-11H2,1H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole?
6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole has a molecular weight of 263.38 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-2,3-dihydroindole is sourced from PubChem (CID 118231275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).