(4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene

C12H12N2O — CID 142779519

IUPAC(4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene
SMILESC1=C\C=C/C=C\N=N/O/C=C\C=C\C=C/1
InChIInChI=1S/C12H12N2O/c1-2-4-6-8-10-12-15-14-13-11-9-7-5-3-1/h1-12H/b3-1-,4-2-,7-5-,8-6-,11-9-,12-10-,14-13-
InChIKeyRHUSCXBDGIZAQE-XNLGAXGFSA-N
MW200.24 g/mol
LogP3.64
Rot. Bonds

About (4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene

(4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene (PubChem CID 142779519) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene.

Molecular Properties

Compound Name(4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene
PubChem CID142779519
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene
SMILESC1=C\C=C/C=C\N=N/O/C=C\C=C\C=C/1
InChIInChI=1S/C12H12N2O/c1-2-4-6-8-10-12-15-14-13-11-9-7-5-3-1/h1-12H/b3-1-,4-2-,7-5-,8-6-,11-9-,12-10-,14-13-
InChIKeyRHUSCXBDGIZAQE-XNLGAXGFSA-N
XLogP3.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene?
The IUPAC name of (4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene (CID 142779519) is (4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene.
What is the SMILES notation for (4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene?
The canonical SMILES for (4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene is C1=C\C=C/C=C\N=N/O/C=C\C=C\C=C/1.
What is the InChIKey of (4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene?
The InChIKey is RHUSCXBDGIZAQE-XNLGAXGFSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-4-6-8-10-12-15-14-13-11-9-7-5-3-1/h1-12H/b3-1-,4-2-,7-5-,8-6-,11-9-,12-10-,14-13-.
What are the key properties of (4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene?
(4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene has a molecular weight of 200.24 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z,8Z,10Z,12Z,14Z)-1-oxa-2,3-diazacyclopentadeca-2,4,6,8,10,12,14-heptaene is sourced from PubChem (CID 142779519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).