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

C15H16N2O — CID 88506814

IUPAC(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde
SMILESO=Cc1[nH]c2cccc3c2c1C[C@H]1NCCC[C@H]31
InChIInChI=1S/C15H16N2O/c18-8-14-11-7-13-9(4-2-6-16-13)10-3-1-5-12(17-14)15(10)11/h1,3,5,8-9,13,16-17H,2,4,6-7H2/t9-,13-/m1/s1
InChIKeyWHVGGHMFQVJFPK-NOZJJQNGSA-N
MW240.31 g/mol
LogP2.37
Rot. Bonds1

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

(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde (PubChem CID 88506814) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde.

Molecular Properties

Compound Name(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde
PubChem CID88506814
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde
SMILESO=Cc1[nH]c2cccc3c2c1C[C@H]1NCCC[C@H]31
InChIInChI=1S/C15H16N2O/c18-8-14-11-7-13-9(4-2-6-16-13)10-3-1-5-12(17-14)15(10)11/h1,3,5,8-9,13,16-17H,2,4,6-7H2/t9-,13-/m1/s1
InChIKeyWHVGGHMFQVJFPK-NOZJJQNGSA-N
XLogP2.37
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde?
The IUPAC name of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde (CID 88506814) is (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde.
What is the SMILES notation for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde?
The canonical SMILES for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde is O=Cc1[nH]c2cccc3c2c1C[C@H]1NCCC[C@H]31.
What is the InChIKey of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde?
The InChIKey is WHVGGHMFQVJFPK-NOZJJQNGSA-N. The full InChI is InChI=1S/C15H16N2O/c18-8-14-11-7-13-9(4-2-6-16-13)10-3-1-5-12(17-14)15(10)11/h1,3,5,8-9,13,16-17H,2,4,6-7H2/t9-,13-/m1/s1.
What are the key properties of (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde?
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde has a molecular weight of 240.31 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde is sourced from PubChem (CID 88506814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).