16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one

C15H9NO2 — CID 102501606

IUPAC16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one
SMILESO=c1oc2cccn2c2cc3ccccc3cc12
InChIInChI=1S/C15H9NO2/c17-15-12-8-10-4-1-2-5-11(10)9-13(12)16-7-3-6-14(16)18-15/h1-9H
InChIKeyFLDPLSVHCIAKHV-UHFFFAOYSA-N
MW235.24 g/mol
LogP3.20
Rot. Bonds

About 16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one

16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one (PubChem CID 102501606) has the molecular formula C15H9NO2 and a molecular weight of 235.24 g/mol. Its IUPAC name is 16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one.

Molecular Properties

Compound Name16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one
PubChem CID102501606
Molecular FormulaC15H9NO2
Molecular Weight235.24 g/mol
Exact Mass235.06
IUPAC Name16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one
SMILESO=c1oc2cccn2c2cc3ccccc3cc12
InChIInChI=1S/C15H9NO2/c17-15-12-8-10-4-1-2-5-11(10)9-13(12)16-7-3-6-14(16)18-15/h1-9H
InChIKeyFLDPLSVHCIAKHV-UHFFFAOYSA-N
XLogP3.20
TPSA34.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one?
The IUPAC name of 16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one (CID 102501606) is 16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one.
What is the SMILES notation for 16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one?
The canonical SMILES for 16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one is O=c1oc2cccn2c2cc3ccccc3cc12.
What is the InChIKey of 16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one?
The InChIKey is FLDPLSVHCIAKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO2/c17-15-12-8-10-4-1-2-5-11(10)9-13(12)16-7-3-6-14(16)18-15/h1-9H.
What are the key properties of 16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one?
16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one has a molecular weight of 235.24 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-oxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14-heptaen-17-one is sourced from PubChem (CID 102501606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).