2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene

C15H27NO — CID 143716699

IUPAC2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCC1CCCCCCCCC2=C1NCCO2
InChIInChI=1S/C15H27NO/c1-2-13-9-7-5-3-4-6-8-10-14-15(13)16-11-12-17-14/h13,16H,2-12H2,1H3
InChIKeyVFWACZWNUWAUDR-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.98
Rot. Bonds1

About 2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene

2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene (PubChem CID 143716699) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene.

Molecular Properties

Compound Name2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
PubChem CID143716699
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCC1CCCCCCCCC2=C1NCCO2
InChIInChI=1S/C15H27NO/c1-2-13-9-7-5-3-4-6-8-10-14-15(13)16-11-12-17-14/h13,16H,2-12H2,1H3
InChIKeyVFWACZWNUWAUDR-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The IUPAC name of 2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene (CID 143716699) is 2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene.
What is the SMILES notation for 2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The canonical SMILES for 2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene is CCC1CCCCCCCCC2=C1NCCO2.
What is the InChIKey of 2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The InChIKey is VFWACZWNUWAUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-13-9-7-5-3-4-6-8-10-14-15(13)16-11-12-17-14/h13,16H,2-12H2,1H3.
What are the key properties of 2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene has a molecular weight of 237.39 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene is sourced from PubChem (CID 143716699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).