ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene

C13H25NO — CID 90868808

IUPACethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene
SMILESCC.COC1=NC(C)C2(C)CCC2(C)C1
InChIInChI=1S/C11H19NO.C2H6/c1-8-11(3)6-5-10(11,2)7-9(12-8)13-4;1-2/h8H,5-7H2,1-4H3;1-2H3
InChIKeyCRPJNDXCADAUNE-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.66
Rot. Bonds

About ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene

ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene (PubChem CID 90868808) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene.

Molecular Properties

Compound Nameethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene
PubChem CID90868808
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene
SMILESCC.COC1=NC(C)C2(C)CCC2(C)C1
InChIInChI=1S/C11H19NO.C2H6/c1-8-11(3)6-5-10(11,2)7-9(12-8)13-4;1-2/h8H,5-7H2,1-4H3;1-2H3
InChIKeyCRPJNDXCADAUNE-UHFFFAOYSA-N
XLogP3.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene?
The IUPAC name of ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene (CID 90868808) is ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene.
What is the SMILES notation for ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene?
The canonical SMILES for ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene is CC.COC1=NC(C)C2(C)CCC2(C)C1.
What is the InChIKey of ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene?
The InChIKey is CRPJNDXCADAUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.C2H6/c1-8-11(3)6-5-10(11,2)7-9(12-8)13-4;1-2/h8H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene?
ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene has a molecular weight of 211.35 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-1,2,6-trimethyl-3-azabicyclo[4.2.0]oct-3-ene is sourced from PubChem (CID 90868808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).