ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C16H24N2O — CID 123322356

IUPACethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC.CC.CC.c1cc2c(cn1)oc1ccncc12
InChIInChI=1S/C10H6N2O.3C2H6/c1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;3*1-2/h1-6H;3*1-2H3
InChIKeyFJVGGEQBXKGPIO-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.45
Rot. Bonds

About ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 123322356) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Nameethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID123322356
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Nameethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC.CC.CC.c1cc2c(cn1)oc1ccncc12
InChIInChI=1S/C10H6N2O.3C2H6/c1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;3*1-2/h1-6H;3*1-2H3
InChIKeyFJVGGEQBXKGPIO-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

6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane
CID 144553602
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123551658
3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155076323
4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155076406
8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 164813193
[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid
CID 70413591
8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90265596
8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90291990
2-methylfuro[2,3-c]pyridin-3-amine
CID 58826779
8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 155155977
[1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene
CID 145358217
N-chromeno[2,3-c]pyridin-5-ylidenehydroxylamine
CID 137205389

Frequently Asked Questions

What is the IUPAC name of ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 123322356) is ethane;8-oxa-4,11-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-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC.CC.CC.c1cc2c(cn1)oc1ccncc12.
What is the InChIKey of ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is FJVGGEQBXKGPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O.3C2H6/c1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;3*1-2/h1-6H;3*1-2H3.
What are the key properties of ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
ethane;8-oxa-4,11-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-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 123322356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).