(1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one

C16H13NO2 — CID 101254224

IUPAC(1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
SMILESO=C1c2ccccc2[C@H]2c3ccccc3COCN12
InChIInChI=1S/C16H13NO2/c18-16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-19-10-17(15)16/h1-8,15H,9-10H2/t15-/m1/s1
InChIKeyPYIQAZYUYUXLLU-OAHLLOKOSA-N
MW251.29 g/mol
LogP2.72
Rot. Bonds

About (1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one

(1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one (PubChem CID 101254224) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one.

Molecular Properties

Compound Name(1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
PubChem CID101254224
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
SMILESO=C1c2ccccc2[C@H]2c3ccccc3COCN12
InChIInChI=1S/C16H13NO2/c18-16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-19-10-17(15)16/h1-8,15H,9-10H2/t15-/m1/s1
InChIKeyPYIQAZYUYUXLLU-OAHLLOKOSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one?
The IUPAC name of (1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one (CID 101254224) is (1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one.
What is the SMILES notation for (1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one?
The canonical SMILES for (1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one is O=C1c2ccccc2[C@H]2c3ccccc3COCN12.
What is the InChIKey of (1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one?
The InChIKey is PYIQAZYUYUXLLU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-19-10-17(15)16/h1-8,15H,9-10H2/t15-/m1/s1.
What are the key properties of (1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one?
(1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one has a molecular weight of 251.29 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one is sourced from PubChem (CID 101254224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).