8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene

C15H14IN — CID 167289769

IUPAC8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene
SMILESCc1ccc2c(c1C)N(I)C1C=CC=CC2=C1
InChIInChI=1S/C15H14IN/c1-10-7-8-14-12-5-3-4-6-13(9-12)17(16)15(14)11(10)2/h3-9,13H,1-2H3
InChIKeyZLVDGOJYKCAUEO-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.35
Rot. Bonds

About 8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene

8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene (PubChem CID 167289769) has the molecular formula C15H14IN and a molecular weight of 335.19 g/mol. Its IUPAC name is 8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene
PubChem CID167289769
Molecular FormulaC15H14IN
Molecular Weight335.19 g/mol
Exact Mass335.02
IUPAC Name8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene
SMILESCc1ccc2c(c1C)N(I)C1C=CC=CC2=C1
InChIInChI=1S/C15H14IN/c1-10-7-8-14-12-5-3-4-6-13(9-12)17(16)15(14)11(10)2/h3-9,13H,1-2H3
InChIKeyZLVDGOJYKCAUEO-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene (CID 167289769) is 8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene is Cc1ccc2c(c1C)N(I)C1C=CC=CC2=C1.
What is the InChIKey of 8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene?
The InChIKey is ZLVDGOJYKCAUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN/c1-10-7-8-14-12-5-3-4-6-13(9-12)17(16)15(14)11(10)2/h3-9,13H,1-2H3.
What are the key properties of 8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene?
8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene has a molecular weight of 335.19 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-5,6-dimethyl-8-azatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 167289769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).