3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene

C15H13NO — CID 123603556

IUPAC3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene
SMILESC1=CN2C=CCC3=C2C(=C1)CC1=C3OCC=C1
InChIInChI=1S/C15H13NO/c1-4-11-10-12-5-3-9-17-15(12)13-6-2-8-16(7-1)14(11)13/h1-5,7-8H,6,9-10H2
InChIKeyUOIPWQXGVSOQIO-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.16
Rot. Bonds

About 3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene

3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene (PubChem CID 123603556) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene.

Molecular Properties

Compound Name3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene
PubChem CID123603556
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene
SMILESC1=CN2C=CCC3=C2C(=C1)CC1=C3OCC=C1
InChIInChI=1S/C15H13NO/c1-4-11-10-12-5-3-9-17-15(12)13-6-2-8-16(7-1)14(11)13/h1-5,7-8H,6,9-10H2
InChIKeyUOIPWQXGVSOQIO-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 163806481
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CID 163900998
CID 163900998
CID 171578726
CID 171578726
CID 425289
CID 425289

Frequently Asked Questions

What is the IUPAC name of 3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene?
The IUPAC name of 3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene (CID 123603556) is 3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene.
What is the SMILES notation for 3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene?
The canonical SMILES for 3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene is C1=CN2C=CCC3=C2C(=C1)CC1=C3OCC=C1.
What is the InChIKey of 3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene?
The InChIKey is UOIPWQXGVSOQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-4-11-10-12-5-3-9-17-15(12)13-6-2-8-16(7-1)14(11)13/h1-5,7-8H,6,9-10H2.
What are the key properties of 3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene?
3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene has a molecular weight of 223.28 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,9,11,14-hexaene is sourced from PubChem (CID 123603556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).