3aH-indole

C8H7N — CID 20627139

IUPAC3aH-indole
SMILESC1=CC2=NC=CC2C=C1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-7H
InChIKeyWOJKTXQKLPWOSS-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.70
Rot. Bonds

About 3aH-indole

3aH-indole (PubChem CID 20627139) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 3aH-indole.

Molecular Properties

Compound Name3aH-indole
PubChem CID20627139
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name3aH-indole
SMILESC1=CC2=NC=CC2C=C1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-7H
InChIKeyWOJKTXQKLPWOSS-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3aH-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3aH-Isoindol
CID 15345461
(1Z)-1-Benzazocine
CID 17846319
2H-Indole
CID 19013146
Pyrrolo[3,2-e]indole
CID 19433626
5H-Indole
CID 20712154
Pyrrolo[2,3-f]indole
CID 21252022
5-fluoro-7H-indole
CID 97295149
Benz[b]azocine
CID 23636810
2-Azabicyclo[3.2.0]hepta-1,3,6-triene
CID 86260209
4h-Indenopyridine
CID 129788783
(3aS)-6-fluoro-3aH-indole
CID 124263148
(3aR)-6-fluoro-3aH-indole
CID 124263149

Frequently Asked Questions

What is the IUPAC name of 3aH-indole?
The IUPAC name of 3aH-indole (CID 20627139) is 3aH-indole.
What is the SMILES notation for 3aH-indole?
The canonical SMILES for 3aH-indole is C1=CC2=NC=CC2C=C1.
What is the InChIKey of 3aH-indole?
The InChIKey is WOJKTXQKLPWOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-7H.
What are the key properties of 3aH-indole?
3aH-indole has a molecular weight of 117.15 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3aH-indole is sourced from PubChem (CID 20627139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).