7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

C13H16IN — CID 146667407

IUPAC7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCc1c(I)cc2c3c1CCCN3CCC2
InChIInChI=1S/C13H16IN/c1-9-11-5-3-7-15-6-2-4-10(13(11)15)8-12(9)14/h8H,2-7H2,1H3
InChIKeyJCGLGDNJTYZRLP-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.30
Rot. Bonds

About 7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (PubChem CID 146667407) has the molecular formula C13H16IN and a molecular weight of 313.18 g/mol. Its IUPAC name is 7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.

Molecular Properties

Compound Name7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
PubChem CID146667407
Molecular FormulaC13H16IN
Molecular Weight313.18 g/mol
Exact Mass313.03
IUPAC Name7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCc1c(I)cc2c3c1CCCN3CCC2
InChIInChI=1S/C13H16IN/c1-9-11-5-3-7-15-6-2-4-10(13(11)15)8-12(9)14/h8H,2-7H2,1H3
InChIKeyJCGLGDNJTYZRLP-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The IUPAC name of 7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (CID 146667407) is 7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.
What is the SMILES notation for 7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The canonical SMILES for 7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is Cc1c(I)cc2c3c1CCCN3CCC2.
What is the InChIKey of 7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The InChIKey is JCGLGDNJTYZRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN/c1-9-11-5-3-7-15-6-2-4-10(13(11)15)8-12(9)14/h8H,2-7H2,1H3.
What are the key properties of 7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene has a molecular weight of 313.18 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is sourced from PubChem (CID 146667407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).