1-benzyl-2,3-dihydroindole

C15H15N — CID 10805096

IUPAC1-benzyl-2,3-dihydroindole
SMILESc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C15H15N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2
InChIKeySBWJGPICKZXXOG-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.25
Rot. Bonds2

About 1-benzyl-2,3-dihydroindole

1-benzyl-2,3-dihydroindole (PubChem CID 10805096) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-benzyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-benzyl-2,3-dihydroindole
PubChem CID10805096
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name1-benzyl-2,3-dihydroindole
SMILESc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C15H15N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2
InChIKeySBWJGPICKZXXOG-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dihydroindole?
The IUPAC name of 1-benzyl-2,3-dihydroindole (CID 10805096) is 1-benzyl-2,3-dihydroindole.
What is the SMILES notation for 1-benzyl-2,3-dihydroindole?
The canonical SMILES for 1-benzyl-2,3-dihydroindole is c1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2,3-dihydroindole?
The InChIKey is SBWJGPICKZXXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2.
What are the key properties of 1-benzyl-2,3-dihydroindole?
1-benzyl-2,3-dihydroindole has a molecular weight of 209.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dihydroindole is sourced from PubChem (CID 10805096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).