1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole

C10H10N2 — CID 173218811

IUPAC1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole
SMILESC1=NCC2c3ccccc3NC12
InChIInChI=1S/C10H10N2/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9/h1-4,6,8,10,12H,5H2
InChIKeyDSKGVPTVVRAPEN-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.65
Rot. Bonds

About 1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole

1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole (PubChem CID 173218811) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole.

Molecular Properties

Compound Name1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole
PubChem CID173218811
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole
SMILESC1=NCC2c3ccccc3NC12
InChIInChI=1S/C10H10N2/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9/h1-4,6,8,10,12H,5H2
InChIKeyDSKGVPTVVRAPEN-UHFFFAOYSA-N
XLogP1.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole?
The IUPAC name of 1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole (CID 173218811) is 1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole.
What is the SMILES notation for 1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole?
The canonical SMILES for 1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole is C1=NCC2c3ccccc3NC12.
What is the InChIKey of 1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole?
The InChIKey is DSKGVPTVVRAPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9/h1-4,6,8,10,12H,5H2.
What are the key properties of 1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole?
1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole has a molecular weight of 158.20 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole is sourced from PubChem (CID 173218811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).