3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene

C15H14N+ — CID 58183921

IUPAC3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene
SMILESCc1cc2c3[n+](c1)Cc1cccc(c1-3)CC2
InChIInChI=1S/C15H14N/c1-10-7-12-6-5-11-3-2-4-13-9-16(8-10)15(12)14(11)13/h2-4,7-8H,5-6,9H2,1H3/q+1
InChIKeyGCPHFWBCPDGLPT-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.41
Rot. Bonds

About 3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene

3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene (PubChem CID 58183921) has the molecular formula C15H14N+ and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene.

Molecular Properties

Compound Name3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene
PubChem CID58183921
Molecular FormulaC15H14N+
Molecular Weight208.28 g/mol
Exact Mass208.11
IUPAC Name3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene
SMILESCc1cc2c3[n+](c1)Cc1cccc(c1-3)CC2
InChIInChI=1S/C15H14N/c1-10-7-12-6-5-11-3-2-4-13-9-16(8-10)15(12)14(11)13/h2-4,7-8H,5-6,9H2,1H3/q+1
InChIKeyGCPHFWBCPDGLPT-UHFFFAOYSA-N
XLogP2.41
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.41
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 3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene?
The IUPAC name of 3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene (CID 58183921) is 3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene.
What is the SMILES notation for 3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene?
The canonical SMILES for 3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene is Cc1cc2c3[n+](c1)Cc1cccc(c1-3)CC2.
What is the InChIKey of 3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene?
The InChIKey is GCPHFWBCPDGLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N/c1-10-7-12-6-5-11-3-2-4-13-9-16(8-10)15(12)14(11)13/h2-4,7-8H,5-6,9H2,1H3/q+1.
What are the key properties of 3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene?
3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene has a molecular weight of 208.28 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-azoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene is sourced from PubChem (CID 58183921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).