8aH-pyrido[3,4-b]indole

C11H8N2 — CID 57235232

IUPAC8aH-pyrido[3,4-b]indole
SMILESC1=CC2=c3ccncc3=NC2C=C1
InChIInChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,10H
InChIKeyGYBPKSFWMRMTGN-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.36
Rot. Bonds

About 8aH-pyrido[3,4-b]indole

8aH-pyrido[3,4-b]indole (PubChem CID 57235232) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 8aH-pyrido[3,4-b]indole.

Molecular Properties

Compound Name8aH-pyrido[3,4-b]indole
PubChem CID57235232
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name8aH-pyrido[3,4-b]indole
SMILESC1=CC2=c3ccncc3=NC2C=C1
InChIInChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,10H
InChIKeyGYBPKSFWMRMTGN-UHFFFAOYSA-N
XLogP0.36
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8aH-carbazole
CID 9548747
9H-Pyrido[4,3-b]indole
CID 15897929
1-Methyl-9H-pyrido[4,3-b]indole
CID 15897930
Pyrrolo[2,3-c]carbazole
CID 19960015
5H-Indole
CID 20712154
2H-1,4-Benzodiazepine
CID 21162934
Pyrrolo[2,3-f]indole
CID 21252022
Pyrrolo-[3,2-f]indole
CID 21252023
1h Pyrido[4,3 b]indole hydrochloride
CID 21499446
1h Pyrido[4,3 b]indole
CID 21499447
Pyrrolo[3,2-b]carbazole
CID 21886979
Indoloindole
CID 21887135

Frequently Asked Questions

What is the IUPAC name of 8aH-pyrido[3,4-b]indole?
The IUPAC name of 8aH-pyrido[3,4-b]indole (CID 57235232) is 8aH-pyrido[3,4-b]indole.
What is the SMILES notation for 8aH-pyrido[3,4-b]indole?
The canonical SMILES for 8aH-pyrido[3,4-b]indole is C1=CC2=c3ccncc3=NC2C=C1.
What is the InChIKey of 8aH-pyrido[3,4-b]indole?
The InChIKey is GYBPKSFWMRMTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,10H.
What are the key properties of 8aH-pyrido[3,4-b]indole?
8aH-pyrido[3,4-b]indole has a molecular weight of 168.20 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-pyrido[3,4-b]indole is sourced from PubChem (CID 57235232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).