9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene

C12H16N2O — CID 142373539

IUPAC9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene
SMILESC1=CCC=C2C(=C1)OCC1CNCCN21
InChIInChI=1S/C12H16N2O/c1-2-4-11-12(5-3-1)15-9-10-8-13-6-7-14(10)11/h1,3-5,10,13H,2,6-9H2
InChIKeyJXGRJLOTXNUMEB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.02
Rot. Bonds

About 9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene

9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene (PubChem CID 142373539) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene.

Molecular Properties

Compound Name9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene
PubChem CID142373539
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene
SMILESC1=CCC=C2C(=C1)OCC1CNCCN21
InChIInChI=1S/C12H16N2O/c1-2-4-11-12(5-3-1)15-9-10-8-13-6-7-14(10)11/h1,3-5,10,13H,2,6-9H2
InChIKeyJXGRJLOTXNUMEB-UHFFFAOYSA-N
XLogP1.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene
CID 142373538
ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
CID 145202705
4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155016683
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155694984
(3E,4E)-3,4-bis(prop-2-enylidene)-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 169898183
1-(4-ethyl-7-iodo-3,6-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)-N-methylmethanamine
CID 169998836
(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
CID 145202706
(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155694985
(1E)-1-(3-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-yl)buta-1,3-dien-2-amine
CID 155695019

Frequently Asked Questions

What is the IUPAC name of 9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene?
The IUPAC name of 9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene (CID 142373539) is 9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene.
What is the SMILES notation for 9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene?
The canonical SMILES for 9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene is C1=CCC=C2C(=C1)OCC1CNCCN21.
What is the InChIKey of 9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene?
The InChIKey is JXGRJLOTXNUMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-4-11-12(5-3-1)15-9-10-8-13-6-7-14(10)11/h1,3-5,10,13H,2,6-9H2.
What are the key properties of 9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene?
9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene has a molecular weight of 204.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene is sourced from PubChem (CID 142373539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).