13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene

C16H10INO — CID 138482103

IUPAC13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
SMILESIC1c2ccccc2-c2cnoc2-c2ccccc21
InChIInChI=1S/C16H10INO/c17-15-11-6-2-1-5-10(11)14-9-18-19-16(14)13-8-4-3-7-12(13)15/h1-9,15H
InChIKeyXZDOHEWGRMUUIY-UHFFFAOYSA-N
MW359.17 g/mol
LogP4.85
Rot. Bonds

About 13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene

13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene (PubChem CID 138482103) has the molecular formula C16H10INO and a molecular weight of 359.17 g/mol. Its IUPAC name is 13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene.

Molecular Properties

Compound Name13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
PubChem CID138482103
Molecular FormulaC16H10INO
Molecular Weight359.17 g/mol
Exact Mass358.98
IUPAC Name13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
SMILESIC1c2ccccc2-c2cnoc2-c2ccccc21
InChIInChI=1S/C16H10INO/c17-15-11-6-2-1-5-10(11)14-9-18-19-16(14)13-8-4-3-7-12(13)15/h1-9,15H
InChIKeyXZDOHEWGRMUUIY-UHFFFAOYSA-N
XLogP4.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
The IUPAC name of 13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene (CID 138482103) is 13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene.
What is the SMILES notation for 13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
The canonical SMILES for 13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene is IC1c2ccccc2-c2cnoc2-c2ccccc21.
What is the InChIKey of 13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
The InChIKey is XZDOHEWGRMUUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10INO/c17-15-11-6-2-1-5-10(11)14-9-18-19-16(14)13-8-4-3-7-12(13)15/h1-9,15H.
What are the key properties of 13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene has a molecular weight of 359.17 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene is sourced from PubChem (CID 138482103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).