2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole

C17H24N2 — CID 162247631

IUPAC2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole
SMILESC1CCN2CCCCC2C1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C9H17N.C8H7N/c1-3-7-10-8-4-2-6-9(10)5-1;1-2-4-8-7(3-1)5-6-9-8/h9H,1-8H2;1-6,9H
InChIKeyZXOAGXKNGQDYKS-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.19
Rot. Bonds

About 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole

2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole (PubChem CID 162247631) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole.

Molecular Properties

Compound Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole
PubChem CID162247631
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole
SMILESC1CCN2CCCCC2C1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C9H17N.C8H7N/c1-3-7-10-8-4-2-6-9(10)5-1;1-2-4-8-7(3-1)5-6-9-8/h9H,1-8H2;1-6,9H
InChIKeyZXOAGXKNGQDYKS-UHFFFAOYSA-N
XLogP4.19
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole (CID 162247631) is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole is C1CCN2CCCCC2C1.c1ccc2[nH]ccc2c1.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole?
The InChIKey is ZXOAGXKNGQDYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H7N/c1-3-7-10-8-4-2-6-9(10)5-1;1-2-4-8-7(3-1)5-6-9-8/h9H,1-8H2;1-6,9H.
What are the key properties of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole?
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole has a molecular weight of 256.39 g/mol, XLogP of 4.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;1H-indole is sourced from PubChem (CID 162247631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).