2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene

C17H15NO2 — CID 142774826

IUPAC2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene
SMILESc1cccccnooc2ccccc2ccccc1
InChIInChI=1S/C17H15NO2/c1-2-4-6-8-12-16-13-9-10-14-17(16)19-20-18-15-11-7-5-3-1/h1-15H/b2-1+,5-3-,6-4-,11-7+,12-8-,18-15+
InChIKeyBWRICJACERYKMJ-MWSCGGHHSA-N
MW265.31 g/mol
LogP4.79
Rot. Bonds

About 2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene

2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene (PubChem CID 142774826) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene.

Molecular Properties

Compound Name2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene
PubChem CID142774826
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene
SMILESc1cccccnooc2ccccc2ccccc1
InChIInChI=1S/C17H15NO2/c1-2-4-6-8-12-16-13-9-10-14-17(16)19-20-18-15-11-7-5-3-1/h1-15H/b2-1+,5-3-,6-4-,11-7+,12-8-,18-15+
InChIKeyBWRICJACERYKMJ-MWSCGGHHSA-N
XLogP4.79
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene with MolForge

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Related Compounds

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Benzoxazonin-3-imine
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Benzoxadiazonine
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Dibenzodioxazocin
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Dibenzoxazocine
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7-(1-Fluoroethyl)-1,2-benzoxazole
CID 84652033

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene?
The IUPAC name of 2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene (CID 142774826) is 2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene.
What is the SMILES notation for 2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene?
The canonical SMILES for 2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene is c1cccccnooc2ccccc2ccccc1.
What is the InChIKey of 2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene?
The InChIKey is BWRICJACERYKMJ-MWSCGGHHSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-4-6-8-12-16-13-9-10-14-17(16)19-20-18-15-11-7-5-3-1/h1-15H/b2-1+,5-3-,6-4-,11-7+,12-8-,18-15+.
What are the key properties of 2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene?
2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene has a molecular weight of 265.31 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene is sourced from PubChem (CID 142774826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).