1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole

C16H18N2 — CID 70535428

IUPAC1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole
SMILESCCC1=C2c3[nH]c4ccccc4c3CCN2CC1
InChIInChI=1S/C16H18N2/c1-2-11-7-9-18-10-8-13-12-5-3-4-6-14(12)17-15(13)16(11)18/h3-6,17H,2,7-10H2,1H3
InChIKeyAYNJVDLLJBJNGY-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.55
Rot. Bonds1

About 1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole

1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole (PubChem CID 70535428) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole.

Molecular Properties

Compound Name1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole
PubChem CID70535428
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole
SMILESCCC1=C2c3[nH]c4ccccc4c3CCN2CC1
InChIInChI=1S/C16H18N2/c1-2-11-7-9-18-10-8-13-12-5-3-4-6-14(12)17-15(13)16(11)18/h3-6,17H,2,7-10H2,1H3
InChIKeyAYNJVDLLJBJNGY-UHFFFAOYSA-N
XLogP3.55
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole?
The IUPAC name of 1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole (CID 70535428) is 1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole.
What is the SMILES notation for 1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole?
The canonical SMILES for 1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole is CCC1=C2c3[nH]c4ccccc4c3CCN2CC1.
What is the InChIKey of 1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole?
The InChIKey is AYNJVDLLJBJNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-11-7-9-18-10-8-13-12-5-3-4-6-14(12)17-15(13)16(11)18/h3-6,17H,2,7-10H2,1H3.
What are the key properties of 1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole?
1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole has a molecular weight of 238.33 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole is sourced from PubChem (CID 70535428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).