6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole

C11H12N2 — CID 91023717

IUPAC6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
SMILESC1=CCC2C(=NC3C=CN=CC32)C1
InChIInChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-2,5-9,11H,3-4H2
InChIKeyJZESNWDDPANGEA-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.99
Rot. Bonds

About 6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole

6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole (PubChem CID 91023717) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
PubChem CID91023717
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
SMILESC1=CCC2C(=NC3C=CN=CC32)C1
InChIInChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-2,5-9,11H,3-4H2
InChIKeyJZESNWDDPANGEA-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
CID 53954006
3,9-Diazatricyclo[6.4.1.04,13]trideca-3,6,9,11-tetraene
CID 56993502
4,4a,4b,8a-tetrahydro-1H-pyrido[3,4-b]indole
CID 57046091
4,4a,4b,5,6,8a-hexahydro-1H-pyrido[3,4-b]indole
CID 57132388
3a,4,6,9,9a,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline
CID 57290287
3a,4,5,7a-tetrahydro-3H-indole
CID 90988248
3a,4,6,9,9a,9b-hexahydro-3H-pyrrolo[3,2-c]quinoline
CID 91183266
1,4,5,5a,5b,6,7,9a-Octahydroazepino[3,4-b]indole
CID 91334170
4-methyl-3a,4,5,7a-tetrahydro-3H-indole
CID 123397587
1-methyl-3a,4,5,7a-tetrahydro-1H-isoindole
CID 144249209
9,10-Dihydropyrido[2,3-c]indole
CID 173536214

Frequently Asked Questions

What is the IUPAC name of 6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole?
The IUPAC name of 6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole (CID 91023717) is 6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole.
What is the SMILES notation for 6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole?
The canonical SMILES for 6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole is C1=CCC2C(=NC3C=CN=CC32)C1.
What is the InChIKey of 6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole?
The InChIKey is JZESNWDDPANGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-2,5-9,11H,3-4H2.
What are the key properties of 6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole?
6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole has a molecular weight of 172.23 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole is sourced from PubChem (CID 91023717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).