1H-azepine;2,3-dihydro-1H-indole

C14H16N2 — CID 159350025

IUPAC1H-azepine;2,3-dihydro-1H-indole
SMILESC1=CC=CNC=C1.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C6H7N/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-7-5-3-1/h1-4,9H,5-6H2;1-7H
InChIKeyLHEZUELISXETSY-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.83
Rot. Bonds

About 1H-azepine;2,3-dihydro-1H-indole

1H-azepine;2,3-dihydro-1H-indole (PubChem CID 159350025) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1H-azepine;2,3-dihydro-1H-indole.

Molecular Properties

Compound Name1H-azepine;2,3-dihydro-1H-indole
PubChem CID159350025
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1H-azepine;2,3-dihydro-1H-indole
SMILESC1=CC=CNC=C1.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C6H7N/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-7-5-3-1/h1-4,9H,5-6H2;1-7H
InChIKeyLHEZUELISXETSY-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-azepine;2,3-dihydro-1H-indole?
The IUPAC name of 1H-azepine;2,3-dihydro-1H-indole (CID 159350025) is 1H-azepine;2,3-dihydro-1H-indole.
What is the SMILES notation for 1H-azepine;2,3-dihydro-1H-indole?
The canonical SMILES for 1H-azepine;2,3-dihydro-1H-indole is C1=CC=CNC=C1.c1ccc2c(c1)CCN2.
What is the InChIKey of 1H-azepine;2,3-dihydro-1H-indole?
The InChIKey is LHEZUELISXETSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C6H7N/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-7-5-3-1/h1-4,9H,5-6H2;1-7H.
What are the key properties of 1H-azepine;2,3-dihydro-1H-indole?
1H-azepine;2,3-dihydro-1H-indole has a molecular weight of 212.30 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;2,3-dihydro-1H-indole is sourced from PubChem (CID 159350025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).