6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene

C14H17NO — CID 138624121

IUPAC6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene
SMILESCC1C=C2OCC1CN2Cc1ccccc1
InChIInChI=1S/C14H17NO/c1-11-7-14-15(9-13(11)10-16-14)8-12-5-3-2-4-6-12/h2-7,11,13H,8-10H2,1H3
InChIKeyBVPPACJHXLAXGI-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.63
Rot. Bonds2

About 6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene

6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene (PubChem CID 138624121) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene.

Molecular Properties

Compound Name6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene
PubChem CID138624121
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene
SMILESCC1C=C2OCC1CN2Cc1ccccc1
InChIInChI=1S/C14H17NO/c1-11-7-14-15(9-13(11)10-16-14)8-12-5-3-2-4-6-12/h2-7,11,13H,8-10H2,1H3
InChIKeyBVPPACJHXLAXGI-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S,4S)-1-benzyl-4-ethyl-3-methylpyrrolidin-2-one
CID 59034735
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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene?
The IUPAC name of 6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene (CID 138624121) is 6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene.
What is the SMILES notation for 6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene?
The canonical SMILES for 6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene is CC1C=C2OCC1CN2Cc1ccccc1.
What is the InChIKey of 6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene?
The InChIKey is BVPPACJHXLAXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-7-14-15(9-13(11)10-16-14)8-12-5-3-2-4-6-12/h2-7,11,13H,8-10H2,1H3.
What are the key properties of 6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene?
6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene has a molecular weight of 215.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene is sourced from PubChem (CID 138624121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).