Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide

C13H24IN — CID 203045

IUPAC5-methyl-1,2,3,4,4a,6,7,8,9,9a,10,10a-dodecahydropyrido[1,2-a]indol-5-ium iodide
SMILESC[N+]12CCCCC1CC3C2CCCC3.[I-]
InChIInChI=1S/C13H24N.HI/c1-14-9-5-4-7-12(14)10-11-6-2-3-8-13(11)14;/h11-13H,2-10H2,1H3;1H/q+1;/p-1
InChIKeySJRHDAMTQJPRLX-UHFFFAOYSA-M
MW321.24 g/mol
LogP—
Rot. Bonds

About Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide

Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide (PubChem CID 203045) has the molecular formula C13H24IN and a molecular weight of 321.24 g/mol. Its IUPAC name is 5-methyl-1,2,3,4,4a,6,7,8,9,9a,10,10a-dodecahydropyrido[1,2-a]indol-5-ium iodide.

Molecular Properties

Compound NamePyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide
PubChem CID203045
Molecular FormulaC13H24IN
Molecular Weight321.24 g/mol
Exact Mass321.10
IUPAC Name5-methyl-1,2,3,4,4a,6,7,8,9,9a,10,10a-dodecahydropyrido[1,2-a]indol-5-ium iodide
SMILESC[N+]12CCCCC1CC3C2CCCC3.[I-]
InChIInChI=1S/C13H24N.HI/c1-14-9-5-4-7-12(14)10-11-6-2-3-8-13(11)14;/h11-13H,2-10H2,1H3;1H/q+1;/p-1
InChIKeySJRHDAMTQJPRLX-UHFFFAOYSA-M
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity225

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride
CID 18602170
6,8-Diethyl-5-propylindolizidine
CID 72760744
Lepadiformine C
CID 11601489
(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 15545699
(5S,6R,8R,8aS)-5-butyl-6,8-diethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 162913556
(5S,6R,8R,8aS)-6,8-diethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 162964490
(5R,8R,8aS)-5-ethyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 163106292
9-Ethyldodecahydro-1H-carbazole
CID 66624952
N-ethyl-Octahydroindole
CID 524515
N-methyl-Octahydroindole
CID 524516
(8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 101002226
(5R,7S,8aR)-5,7-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11228914

Frequently Asked Questions

What is the IUPAC name of Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide?
The IUPAC name of Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide (CID 203045) is 5-methyl-1,2,3,4,4a,6,7,8,9,9a,10,10a-dodecahydropyrido[1,2-a]indol-5-ium iodide.
What is the SMILES notation for Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide?
The canonical SMILES for Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide is C[N+]12CCCCC1CC3C2CCCC3.[I-].
What is the InChIKey of Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide?
The InChIKey is SJRHDAMTQJPRLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H24N.HI/c1-14-9-5-4-7-12(14)10-11-6-2-3-8-13(11)14;/h11-13H,2-10H2,1H3;1H/q+1;/p-1.
What are the key properties of Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide?
Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide has a molecular weight of 321.24 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide is sourced from PubChem (CID 203045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).