ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C16H24N2O — CID 123551658

IUPACethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC.CC.CC.c1cnc2c(c1)oc1ccncc12
InChIInChI=1S/C10H6N2O.3C2H6/c1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;3*1-2/h1-6H;3*1-2H3
InChIKeyKWRARSSFRRJSMU-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.45
Rot. Bonds

About ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 123551658) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Nameethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID123551658
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Nameethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC.CC.CC.c1cnc2c(c1)oc1ccncc12
InChIInChI=1S/C10H6N2O.3C2H6/c1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;3*1-2/h1-6H;3*1-2H3
InChIKeyKWRARSSFRRJSMU-UHFFFAOYSA-N
XLogP5.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 167165543
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123322356
8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 14638891
8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 164813193
8-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine;8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine;8-[3-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;8-[3-[3-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 167677651
benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene
CID 159220756
3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 126640854
7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine
CID 158403740
CID 90291971
CID 90291971
8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane
CID 144553631
8-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140837

Frequently Asked Questions

What is the IUPAC name of ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 123551658) is ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC.CC.CC.c1cnc2c(c1)oc1ccncc12.
What is the InChIKey of ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is KWRARSSFRRJSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O.3C2H6/c1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;3*1-2/h1-6H;3*1-2H3.
What are the key properties of ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 260.38 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 123551658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).