ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine

C18H26N2O — CID 143812811

IUPACethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine
SMILESCC.[H]/N=c1\ccc(=C)/c(=C2/CCCN3CCCC(C)=C23)o1
InChIInChI=1S/C16H20N2O.C2H6/c1-11-5-3-9-18-10-4-6-13(15(11)18)16-12(2)7-8-14(17)19-16;1-2/h7-8,17H,2-6,9-10H2,1H3;1-2H3/b16-13+,17-14+;
InChIKeyRNARXPDLIRAVIW-NXJYFNHCSA-N
MW286.42 g/mol
LogP2.51
Rot. Bonds

About ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine

ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine (PubChem CID 143812811) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine.

Molecular Properties

Compound Nameethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine
PubChem CID143812811
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Nameethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine
SMILESCC.[H]/N=c1\ccc(=C)/c(=C2/CCCN3CCCC(C)=C23)o1
InChIInChI=1S/C16H20N2O.C2H6/c1-11-5-3-9-18-10-4-6-13(15(11)18)16-12(2)7-8-14(17)19-16;1-2/h7-8,17H,2-6,9-10H2,1H3;1-2H3/b16-13+,17-14+;
InChIKeyRNARXPDLIRAVIW-NXJYFNHCSA-N
XLogP2.51
TPSA40.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine?
The IUPAC name of ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine (CID 143812811) is ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine.
What is the SMILES notation for ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine?
The canonical SMILES for ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine is CC.[H]/N=c1\ccc(=C)/c(=C2/CCCN3CCCC(C)=C23)o1.
What is the InChIKey of ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine?
The InChIKey is RNARXPDLIRAVIW-NXJYFNHCSA-N. The full InChI is InChI=1S/C16H20N2O.C2H6/c1-11-5-3-9-18-10-4-6-13(15(11)18)16-12(2)7-8-14(17)19-16;1-2/h7-8,17H,2-6,9-10H2,1H3;1-2H3/b16-13+,17-14+;.
What are the key properties of ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine?
ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine has a molecular weight of 286.42 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-imine is sourced from PubChem (CID 143812811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).