16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one

C14H15NO2 — CID 122216110

IUPAC16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one
SMILESO=C1CC23CCCCC2(Nc2ccccc23)O1
InChIInChI=1S/C14H15NO2/c16-12-9-13-7-3-4-8-14(13,17-12)15-11-6-2-1-5-10(11)13/h1-2,5-6,15H,3-4,7-9H2
InChIKeyXJMXPCDIAVIGEF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.57
Rot. Bonds

About 16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one

16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one (PubChem CID 122216110) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one.

Molecular Properties

Compound Name16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one
PubChem CID122216110
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one
SMILESO=C1CC23CCCCC2(Nc2ccccc23)O1
InChIInChI=1S/C14H15NO2/c16-12-9-13-7-3-4-8-14(13,17-12)15-11-6-2-1-5-10(11)13/h1-2,5-6,15H,3-4,7-9H2
InChIKeyXJMXPCDIAVIGEF-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one?
The IUPAC name of 16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one (CID 122216110) is 16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one.
What is the SMILES notation for 16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one?
The canonical SMILES for 16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one is O=C1CC23CCCCC2(Nc2ccccc23)O1.
What is the InChIKey of 16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one?
The InChIKey is XJMXPCDIAVIGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-12-9-13-7-3-4-8-14(13,17-12)15-11-6-2-1-5-10(11)13/h1-2,5-6,15H,3-4,7-9H2.
What are the key properties of 16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one?
16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one has a molecular weight of 229.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-trien-15-one is sourced from PubChem (CID 122216110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).