1H-indole

C8H7N — CID 798

IUPAC1H-indole
SMILESc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKeySIKJAQJRHWYJAI-UHFFFAOYSA-N
MW117.15 g/mol
LogP2.17
Rot. Bonds

About 1H-indole

1H-indole (PubChem CID 798) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 1H-indole.

Molecular Properties

Compound Name1H-indole
PubChem CID798
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name1H-indole
SMILESc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKeySIKJAQJRHWYJAI-UHFFFAOYSA-N
XLogP2.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Carbazole
CID 6854
Quinoline
CID 7047
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
Tryptophol
CID 10685
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838

Frequently Asked Questions

What is the IUPAC name of 1H-indole?
The IUPAC name of 1H-indole (CID 798) is 1H-indole.
What is the SMILES notation for 1H-indole?
The canonical SMILES for 1H-indole is c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole?
The InChIKey is SIKJAQJRHWYJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H.
What are the key properties of 1H-indole?
1H-indole has a molecular weight of 117.15 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole is sourced from PubChem (CID 798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).