(5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene

C16H14N2O — CID 87672269

IUPAC(5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene
SMILESC1=C\C=C/C=C\c2ccccc2O/N=N\C=C\C=C/1
InChIInChI=1S/C16H14N2O/c1-2-4-6-10-14-17-18-19-16-13-9-8-12-15(16)11-7-5-3-1/h1-14H/b2-1-,5-3-,6-4-,11-7-,14-10-,18-17-
InChIKeyVITMZKVKJINTGL-RZAWYEEZSA-N
MW250.30 g/mol
LogP4.64
Rot. Bonds

About (5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene

(5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene (PubChem CID 87672269) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is (5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene.

Molecular Properties

Compound Name(5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene
PubChem CID87672269
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name(5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene
SMILESC1=C\C=C/C=C\c2ccccc2O/N=N\C=C\C=C/1
InChIInChI=1S/C16H14N2O/c1-2-4-6-10-14-17-18-19-16-13-9-8-12-15(16)11-7-5-3-1/h1-14H/b2-1-,5-3-,6-4-,11-7-,14-10-,18-17-
InChIKeyVITMZKVKJINTGL-RZAWYEEZSA-N
XLogP4.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene?
The IUPAC name of (5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene (CID 87672269) is (5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene.
What is the SMILES notation for (5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene?
The canonical SMILES for (5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene is C1=C\C=C/C=C\c2ccccc2O/N=N\C=C\C=C/1.
What is the InChIKey of (5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene?
The InChIKey is VITMZKVKJINTGL-RZAWYEEZSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-4-6-10-14-17-18-19-16-13-9-8-12-15(16)11-7-5-3-1/h1-14H/b2-1-,5-3-,6-4-,11-7-,14-10-,18-17-.
What are the key properties of (5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene?
(5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene has a molecular weight of 250.30 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9Z,11Z,13Z)-2-oxa-3,4-diazabicyclo[13.4.0]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene is sourced from PubChem (CID 87672269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).