2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole

C14H14N2 — CID 141187067

IUPAC2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole
SMILESc1ccc2c(c1)=NC1=C3CCCN3CCC=21
InChIInChI=1S/C14H14N2/c1-2-5-12-10(4-1)11-7-9-16-8-3-6-13(16)14(11)15-12/h1-2,4-5H,3,6-9H2
InChIKeyBBXUFJKMHOGJIS-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.18
Rot. Bonds

About 2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole

2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole (PubChem CID 141187067) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole.

Molecular Properties

Compound Name2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole
PubChem CID141187067
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole
SMILESc1ccc2c(c1)=NC1=C3CCCN3CCC=21
InChIInChI=1S/C14H14N2/c1-2-5-12-10(4-1)11-7-9-16-8-3-6-13(16)14(11)15-12/h1-2,4-5H,3,6-9H2
InChIKeyBBXUFJKMHOGJIS-UHFFFAOYSA-N
XLogP1.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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n-Methylharman
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1-Ethylpyrrolo[2,3-h]quinoline
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CID 129782498
N-ethylpyrroloindole
CID 129873132
Pyrrolo-[3',4':3,4]pyrrolo[2,1-a]isoquinoline
CID 129876726
Tetrahydrobenzo[b]pyrrolo[2,1-f][1,6]naphthyridine
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Tetrahydropyrrolo[3,4-a]carbazole
CID 171393736
6,7-Dihydroindolo[2,3-a]quinolizine--hydrogen chloride (1/1)
CID 138399183
6,7-Dihydroindolo[2,3-a]quinolizine
CID 85538892

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole?
The IUPAC name of 2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole (CID 141187067) is 2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole.
What is the SMILES notation for 2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole?
The canonical SMILES for 2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole is c1ccc2c(c1)=NC1=C3CCCN3CCC=21.
What is the InChIKey of 2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole?
The InChIKey is BBXUFJKMHOGJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-5-12-10(4-1)11-7-9-16-8-3-6-13(16)14(11)15-12/h1-2,4-5H,3,6-9H2.
What are the key properties of 2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole?
2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole has a molecular weight of 210.28 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrahydro-1H-indolizino[8,7-b]indole is sourced from PubChem (CID 141187067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).