8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one

C15H9NO2 — CID 22491669

IUPAC8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one
SMILESO=C1N=Cc2cccc3c2C1c1ccccc1O3
InChIInChI=1S/C15H9NO2/c17-15-14-10-5-1-2-6-11(10)18-12-7-3-4-9(8-16-15)13(12)14/h1-8,14H
InChIKeyMYSVZFVVRSLJCN-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.88
Rot. Bonds

About 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one

8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one (PubChem CID 22491669) has the molecular formula C15H9NO2 and a molecular weight of 235.24 g/mol. Its IUPAC name is 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one.

Molecular Properties

Compound Name8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one
PubChem CID22491669
Molecular FormulaC15H9NO2
Molecular Weight235.24 g/mol
Exact Mass235.06
IUPAC Name8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one
SMILESO=C1N=Cc2cccc3c2C1c1ccccc1O3
InChIInChI=1S/C15H9NO2/c17-15-14-10-5-1-2-6-11(10)18-12-7-3-4-9(8-16-15)13(12)14/h1-8,14H
InChIKeyMYSVZFVVRSLJCN-UHFFFAOYSA-N
XLogP2.88
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one?
The IUPAC name of 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one (CID 22491669) is 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one.
What is the SMILES notation for 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one?
The canonical SMILES for 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one is O=C1N=Cc2cccc3c2C1c1ccccc1O3.
What is the InChIKey of 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one?
The InChIKey is MYSVZFVVRSLJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO2/c17-15-14-10-5-1-2-6-11(10)18-12-7-3-4-9(8-16-15)13(12)14/h1-8,14H.
What are the key properties of 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one?
8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one has a molecular weight of 235.24 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),14-heptaen-16-one is sourced from PubChem (CID 22491669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).