(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline

C16H18N2 — CID 57138620

IUPAC(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESC=Cc1[nH]c2cccc3c2c1C[C@H]1NCCC[C@H]31
InChIInChI=1S/C16H18N2/c1-2-13-12-9-15-10(6-4-8-17-15)11-5-3-7-14(18-13)16(11)12/h2-3,5,7,10,15,17-18H,1,4,6,8-9H2/t10-,15-/m1/s1
InChIKeyCBUMWLVHOGFOPF-MEBBXXQBSA-N
MW238.33 g/mol
LogP3.20
Rot. Bonds1

About (6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline

(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline (PubChem CID 57138620) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
PubChem CID57138620
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESC=Cc1[nH]c2cccc3c2c1C[C@H]1NCCC[C@H]31
InChIInChI=1S/C16H18N2/c1-2-13-12-9-15-10(6-4-8-17-15)11-5-3-7-14(18-13)16(11)12/h2-3,5,7,10,15,17-18H,1,4,6,8-9H2/t10-,15-/m1/s1
InChIKeyCBUMWLVHOGFOPF-MEBBXXQBSA-N
XLogP3.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The IUPAC name of (6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline (CID 57138620) is (6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline is C=Cc1[nH]c2cccc3c2c1C[C@H]1NCCC[C@H]31.
What is the InChIKey of (6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The InChIKey is CBUMWLVHOGFOPF-MEBBXXQBSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-13-12-9-15-10(6-4-8-17-15)11-5-3-7-14(18-13)16(11)12/h2-3,5,7,10,15,17-18H,1,4,6,8-9H2/t10-,15-/m1/s1.
What are the key properties of (6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline has a molecular weight of 238.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline is sourced from PubChem (CID 57138620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).