1,2,3,8-tetrahydropyrrolo[3,4-b]indole

C10H10N2 — CID 66749610

IUPAC1,2,3,8-tetrahydropyrrolo[3,4-b]indole
SMILESC1=CCC2=C3CNCC3=NC2=C1
InChIInChI=1S/C10H10N2/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9/h1-2,4,11H,3,5-6H2
InChIKeyPMUVSIUQCMJPKD-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.18
Rot. Bonds

About 1,2,3,8-tetrahydropyrrolo[3,4-b]indole

1,2,3,8-tetrahydropyrrolo[3,4-b]indole (PubChem CID 66749610) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,2,3,8-tetrahydropyrrolo[3,4-b]indole.

Molecular Properties

Compound Name1,2,3,8-tetrahydropyrrolo[3,4-b]indole
PubChem CID66749610
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1,2,3,8-tetrahydropyrrolo[3,4-b]indole
SMILESC1=CCC2=C3CNCC3=NC2=C1
InChIInChI=1S/C10H10N2/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9/h1-2,4,11H,3,5-6H2
InChIKeyPMUVSIUQCMJPKD-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,8-tetrahydropyrrolo[3,4-b]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

Tetrahydroazepinoindole
CID 66694474
Dihydropyrroloisoquinoline
CID 66919674
5h-Pyrrolo[2,3-f]indole
CID 69450160
Tetrahydroindolo[2,3-d]azepine
CID 87087142
Tetrahydropyrrolocarbazole
CID 88019937
Tetrahydropyrrolo[3,4-b]indole
CID 129783550
6-Fluoro-1,2,3,5-tetrahydropyrrolo[3,2-b]carbazole
CID 175852111
Hexahydroazonino[5,6-b]indole
CID 129799442
N-methyl-2-[(2Z)-2-(3-methylbut-2-enylidene)indol-1-ium-3-yl]ethanamine
CID 135020789
(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
CID 135039127
N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
CID 139247713
Tetrahydropyrrolo[3,4-a]carbazole
CID 171393736

Frequently Asked Questions

What is the IUPAC name of 1,2,3,8-tetrahydropyrrolo[3,4-b]indole?
The IUPAC name of 1,2,3,8-tetrahydropyrrolo[3,4-b]indole (CID 66749610) is 1,2,3,8-tetrahydropyrrolo[3,4-b]indole.
What is the SMILES notation for 1,2,3,8-tetrahydropyrrolo[3,4-b]indole?
The canonical SMILES for 1,2,3,8-tetrahydropyrrolo[3,4-b]indole is C1=CCC2=C3CNCC3=NC2=C1.
What is the InChIKey of 1,2,3,8-tetrahydropyrrolo[3,4-b]indole?
The InChIKey is PMUVSIUQCMJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9/h1-2,4,11H,3,5-6H2.
What are the key properties of 1,2,3,8-tetrahydropyrrolo[3,4-b]indole?
1,2,3,8-tetrahydropyrrolo[3,4-b]indole has a molecular weight of 158.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,8-tetrahydropyrrolo[3,4-b]indole is sourced from PubChem (CID 66749610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).