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

C15H11NO2 — CID 90719837

IUPAC8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one
SMILESO=C1CC2c3ccccc3Oc3cccc(c32)N1
InChIInChI=1S/C15H11NO2/c17-14-8-10-9-4-1-2-6-12(9)18-13-7-3-5-11(16-14)15(10)13/h1-7,10H,8H2,(H,16,17)
InChIKeyZYKJKDFNBLRGEY-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.27
Rot. Bonds

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

8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one (PubChem CID 90719837) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one.

Molecular Properties

Compound Name8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one
PubChem CID90719837
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one
SMILESO=C1CC2c3ccccc3Oc3cccc(c32)N1
InChIInChI=1S/C15H11NO2/c17-14-8-10-9-4-1-2-6-12(9)18-13-7-3-5-11(16-14)15(10)13/h1-7,10H,8H2,(H,16,17)
InChIKeyZYKJKDFNBLRGEY-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one with MolForge

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Related Compounds

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4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one
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CID 673088
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
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CID 125483740
(5S)-5-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
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Frequently Asked Questions

What is the IUPAC name of 8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one?
The IUPAC name of 8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one (CID 90719837) is 8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one.
What is the SMILES notation for 8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one?
The canonical SMILES for 8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one is O=C1CC2c3ccccc3Oc3cccc(c32)N1.
What is the InChIKey of 8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one?
The InChIKey is ZYKJKDFNBLRGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-14-8-10-9-4-1-2-6-12(9)18-13-7-3-5-11(16-14)15(10)13/h1-7,10H,8H2,(H,16,17).
What are the key properties of 8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one?
8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one has a molecular weight of 237.26 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one is sourced from PubChem (CID 90719837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).