2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene

C16H15NO2 — CID 142774825

IUPAC2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene
SMILESc1cccccc2ccccc2oo[nH]cccc1
InChIInChI=1S/C16H15NO2/c1-2-4-6-10-14-17-19-18-16-13-9-8-12-15(16)11-7-5-3-1/h1-14,17H/b2-1-,5-3-,6-4+,11-7-,14-10+
InChIKeyVXFIOQBVPWBLSE-ADTILJHOSA-N
MW253.30 g/mol
LogP4.73
Rot. Bonds

About 2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene

2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene (PubChem CID 142774825) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene.

Molecular Properties

Compound Name2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene
PubChem CID142774825
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene
SMILESc1cccccc2ccccc2oo[nH]cccc1
InChIInChI=1S/C16H15NO2/c1-2-4-6-10-14-17-19-18-16-13-9-8-12-15(16)11-7-5-3-1/h1-14,17H/b2-1-,5-3-,6-4+,11-7-,14-10+
InChIKeyVXFIOQBVPWBLSE-ADTILJHOSA-N
XLogP4.73
TPSA42.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene?
The IUPAC name of 2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene (CID 142774825) is 2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene.
What is the SMILES notation for 2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene?
The canonical SMILES for 2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene is c1cccccc2ccccc2oo[nH]cccc1.
What is the InChIKey of 2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene?
The InChIKey is VXFIOQBVPWBLSE-ADTILJHOSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-4-6-10-14-17-19-18-16-13-9-8-12-15(16)11-7-5-3-1/h1-14,17H/b2-1-,5-3-,6-4+,11-7-,14-10+.
What are the key properties of 2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene?
2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene has a molecular weight of 253.30 g/mol, XLogP of 4.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxa-4-azabicyclo[13.4.0]nonadeca-1(19),5,7,9,11,13,15,17-octaene is sourced from PubChem (CID 142774825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).