5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene

C14H18N+ — CID 121431909

IUPAC5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene
SMILESC=c1cc2c3c(c1C)CC[N+]=3CCCC2
InChIInChI=1S/C14H18N/c1-10-9-12-5-3-4-7-15-8-6-13(11(10)2)14(12)15/h9H,1,3-8H2,2H3/q+1
InChIKeyZSLBHLJEPJIBDQ-UHFFFAOYSA-N
MW200.30 g/mol
LogP0.79
Rot. Bonds

About 5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene

5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene (PubChem CID 121431909) has the molecular formula C14H18N+ and a molecular weight of 200.30 g/mol. Its IUPAC name is 5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene.

Molecular Properties

Compound Name5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene
PubChem CID121431909
Molecular FormulaC14H18N+
Molecular Weight200.30 g/mol
Exact Mass200.14
IUPAC Name5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene
SMILESC=c1cc2c3c(c1C)CC[N+]=3CCCC2
InChIInChI=1S/C14H18N/c1-10-9-12-5-3-4-7-15-8-6-13(11(10)2)14(12)15/h9H,1,3-8H2,2H3/q+1
InChIKeyZSLBHLJEPJIBDQ-UHFFFAOYSA-N
XLogP0.79
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene?
The IUPAC name of 5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene (CID 121431909) is 5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene.
What is the SMILES notation for 5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene?
The canonical SMILES for 5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene is C=c1cc2c3c(c1C)CC[N+]=3CCCC2.
What is the InChIKey of 5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene?
The InChIKey is ZSLBHLJEPJIBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N/c1-10-9-12-5-3-4-7-15-8-6-13(11(10)2)14(12)15/h9H,1,3-8H2,2H3/q+1.
What are the key properties of 5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene?
5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene has a molecular weight of 200.30 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methylidene-1-azoniatricyclo[6.4.1.04,13]trideca-1(13),4,7-triene is sourced from PubChem (CID 121431909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).