3H-indole

C8H7N — CID 3083560

IUPAC3H-indole
SMILESC1=Nc2ccccc2C1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,6H,5H2
InChIKeyRKJUIXBNRJVNHR-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.95
Rot. Bonds

About 3H-indole

3H-indole (PubChem CID 3083560) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 3H-indole.

Molecular Properties

Compound Name3H-indole
PubChem CID3083560
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name3H-indole
SMILESC1=Nc2ccccc2C1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,6H,5H2
InChIKeyRKJUIXBNRJVNHR-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3H-indole?
The IUPAC name of 3H-indole (CID 3083560) is 3H-indole.
What is the SMILES notation for 3H-indole?
The canonical SMILES for 3H-indole is C1=Nc2ccccc2C1.
What is the InChIKey of 3H-indole?
The InChIKey is RKJUIXBNRJVNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,6H,5H2.
What are the key properties of 3H-indole?
3H-indole has a molecular weight of 117.15 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indole is sourced from PubChem (CID 3083560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).