9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium

C13H16N+ — CID 123579560

IUPAC9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium
SMILESC=CC=C1CC[N+]2=C(CCC=C2)C1=C
InChIInChI=1S/C13H16N/c1-3-6-12-8-10-14-9-5-4-7-13(14)11(12)2/h3,5-6,9H,1-2,4,7-8,10H2/q+1
InChIKeyPXQWNWSTGLGIIY-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.82
Rot. Bonds1

About 9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium

9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium (PubChem CID 123579560) has the molecular formula C13H16N+ and a molecular weight of 186.28 g/mol. Its IUPAC name is 9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium.

Molecular Properties

Compound Name9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium
PubChem CID123579560
Molecular FormulaC13H16N+
Molecular Weight186.28 g/mol
Exact Mass186.13
IUPAC Name9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium
SMILESC=CC=C1CC[N+]2=C(CCC=C2)C1=C
InChIInChI=1S/C13H16N/c1-3-6-12-8-10-14-9-5-4-7-13(14)11(12)2/h3,5-6,9H,1-2,4,7-8,10H2/q+1
InChIKeyPXQWNWSTGLGIIY-UHFFFAOYSA-N
XLogP2.82
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.82
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

4,6,7,8-Tetrahydroquinoline
CID 54001033
Azabicyclodecadiene
CID 129783485
7a,10-Diazacyclohepta[def]fluorene
CID 129793584
7,8,9,10-Tetrahydroazepino[2,1-b]quinazoline
CID 54367030
iridium;1-methyl-3-(2,3,4,5-tetrahydropyridin-6-yl)-4H-indol-4-ide
CID 57687916
3-pentyl-2H-quinazoline
CID 69328254
2-(5-Methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine
CID 70925258
N,N,7-trimethyl-8-methylimino-4,9-dihydroquinolizin-1-amine
CID 90851840
6,6-Diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium
CID 90882917
2,3,4,8-Tetrahydroquinoline
CID 101383897
5,6-Dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium
CID 123238844
2-Methyl-1-(2-methyl-6,7-dihydroisoquinolin-2-ium-1-yl)-6,7-dihydroisoquinolin-2-ium
CID 141676456

Frequently Asked Questions

What is the IUPAC name of 9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium?
The IUPAC name of 9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium (CID 123579560) is 9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium.
What is the SMILES notation for 9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium?
The canonical SMILES for 9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium is C=CC=C1CC[N+]2=C(CCC=C2)C1=C.
What is the InChIKey of 9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium?
The InChIKey is PXQWNWSTGLGIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N/c1-3-6-12-8-10-14-9-5-4-7-13(14)11(12)2/h3,5-6,9H,1-2,4,7-8,10H2/q+1.
What are the key properties of 9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium?
9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium has a molecular weight of 186.28 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylidene-8-prop-2-enylidene-1,2,6,7-tetrahydroquinolizin-5-ium is sourced from PubChem (CID 123579560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).