7aH-indole

C8H7N — CID 20614426

IUPAC7aH-indole
SMILESC1=CC2=CC=NC2C=C1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,8H
InChIKeyKKOMCKBPSXAJBJ-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.49
Rot. Bonds

About 7aH-indole

7aH-indole (PubChem CID 20614426) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 7aH-indole.

Molecular Properties

Compound Name7aH-indole
PubChem CID20614426
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name7aH-indole
SMILESC1=CC2=CC=NC2C=C1
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,8H
InChIKeyKKOMCKBPSXAJBJ-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8aH-carbazole
CID 9548747
4Hindole
CID 15011916
Indeno[1,2-b]pyrrole
CID 18925321
2H-Indole
CID 19013146
2-methyl-2H-indole
CID 58371059
3-Methylenepyridine
CID 59803326
Diethylideneaniline
CID 70417807
Cycloheptindole
CID 87491806
Cyclopentindole
CID 88133445
Indole-spiro-pyrrole
CID 129780777
Bis-propylideneaniline
CID 129791915
5-fluoro-2H-indole
CID 69725021

Frequently Asked Questions

What is the IUPAC name of 7aH-indole?
The IUPAC name of 7aH-indole (CID 20614426) is 7aH-indole.
What is the SMILES notation for 7aH-indole?
The canonical SMILES for 7aH-indole is C1=CC2=CC=NC2C=C1.
What is the InChIKey of 7aH-indole?
The InChIKey is KKOMCKBPSXAJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,8H.
What are the key properties of 7aH-indole?
7aH-indole has a molecular weight of 117.15 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7aH-indole is sourced from PubChem (CID 20614426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).