5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium

C14H14N2+2 — CID 143965804

IUPAC5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium
SMILESc1cc[n+]2c(c1)CC1Cc3cccc[n+]3C12
InChIInChI=1S/C14H14N2/c1-3-7-15-12(5-1)9-11-10-13-6-2-4-8-16(13)14(11)15/h1-8,11,14H,9-10H2/q+2
InChIKeyYJHHGUUFQBDVLG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.04
Rot. Bonds

About 5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium

5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium (PubChem CID 143965804) has the molecular formula C14H14N2+2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium.

Molecular Properties

Compound Name5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium
PubChem CID143965804
Molecular FormulaC14H14N2+2
Molecular Weight210.28 g/mol
Exact Mass210.11
IUPAC Name5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium
SMILESc1cc[n+]2c(c1)CC1Cc3cccc[n+]3C12
InChIInChI=1S/C14H14N2/c1-3-7-15-12(5-1)9-11-10-13-6-2-4-8-16(13)14(11)15/h1-8,11,14H,9-10H2/q+2
InChIKeyYJHHGUUFQBDVLG-UHFFFAOYSA-N
XLogP1.04
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine
CID 123858590
3-ethenyl-2,3-dihydro-1H-indolizin-4-ium chloride
CID 11095246
(1S,2R,9R,10S)-3,16-diazoniaheptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaene
CID 102426830
(1S,2S,9S,10S)-3,11-diazoniaheptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaene
CID 102426832
2,3-diphenyl-1,3-dihydroindolizin-4-ium-2-ol
CID 3367715
23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene
CID 158151254
2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform
CID 88671202
2,3-dihydro-1H-indolizin-4-ium iodide
CID 14617556
ethane;2,26,27-triazoniaoctacyclo[12.12.12.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaene
CID 177317757
2-(4-methoxyphenyl)-3-methyl-1,3-dihydroindolizin-4-ium-2-ol
CID 45135543
3-(iodomethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-4-ium iodide
CID 15356411
3,16-dimethyl-7-azoniatricyclo[16.2.2.07,12]docosa-1(21),7,9,11,18(22),19-hexaene dibromide
CID 24844759

Frequently Asked Questions

What is the IUPAC name of 5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium?
The IUPAC name of 5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium (CID 143965804) is 5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium.
What is the SMILES notation for 5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium?
The canonical SMILES for 5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium is c1cc[n+]2c(c1)CC1Cc3cccc[n+]3C12.
What is the InChIKey of 5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium?
The InChIKey is YJHHGUUFQBDVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-3-7-15-12(5-1)9-11-10-13-6-2-4-8-16(13)14(11)15/h1-8,11,14H,9-10H2/q+2.
What are the key properties of 5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium?
5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium has a molecular weight of 210.28 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium is sourced from PubChem (CID 143965804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).