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

C18H25NO2 — CID 143812821

IUPACethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one
SMILESC=c1ccc(=O)o/c1=C1\CCCN2CCCC(C)=C12.CC
InChIInChI=1S/C16H19NO2.C2H6/c1-11-5-3-9-17-10-4-6-13(15(11)17)16-12(2)7-8-14(18)19-16;1-2/h7-8H,2-6,9-10H2,1H3;1-2H3/b16-13+;
InChIKeyXBCODIUBIZLYFF-ZUQRMPMESA-N
MW287.40 g/mol
LogP2.39
Rot. Bonds

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

ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one (PubChem CID 143812821) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one.

Molecular Properties

Compound Nameethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one
PubChem CID143812821
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nameethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one
SMILESC=c1ccc(=O)o/c1=C1\CCCN2CCCC(C)=C12.CC
InChIInChI=1S/C16H19NO2.C2H6/c1-11-5-3-9-17-10-4-6-13(15(11)17)16-12(2)7-8-14(18)19-16;1-2/h7-8H,2-6,9-10H2,1H3;1-2H3/b16-13+;
InChIKeyXBCODIUBIZLYFF-ZUQRMPMESA-N
XLogP2.39
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
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-one?
The IUPAC name of ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one (CID 143812821) is ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one.
What is the SMILES notation for ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one?
The canonical SMILES for ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one is C=c1ccc(=O)o/c1=C1\CCCN2CCCC(C)=C12.CC.
What is the InChIKey of ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one?
The InChIKey is XBCODIUBIZLYFF-ZUQRMPMESA-N. The full InChI is InChI=1S/C16H19NO2.C2H6/c1-11-5-3-9-17-10-4-6-13(15(11)17)16-12(2)7-8-14(18)19-16;1-2/h7-8H,2-6,9-10H2,1H3;1-2H3/b16-13+;.
What are the key properties of ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one?
ethane;(6E)-6-(9-methyl-2,3,4,6,7,8-hexahydroquinolizin-1-ylidene)-5-methylidenepyran-2-one has a molecular weight of 287.40 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 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-one is sourced from PubChem (CID 143812821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).