7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene

C13H23NO — CID 174304936

IUPAC7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene
SMILESCN1CCCOCC2=C(CCCCC2)C1
InChIInChI=1S/C13H23NO/c1-14-8-5-9-15-11-13-7-4-2-3-6-12(13)10-14/h2-11H2,1H3
InChIKeySXIDUNZDTPBIKR-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.60
Rot. Bonds

About 7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene

7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene (PubChem CID 174304936) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene.

Molecular Properties

Compound Name7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene
PubChem CID174304936
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene
SMILESCN1CCCOCC2=C(CCCCC2)C1
InChIInChI=1S/C13H23NO/c1-14-8-5-9-15-11-13-7-4-2-3-6-12(13)10-14/h2-11H2,1H3
InChIKeySXIDUNZDTPBIKR-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene?
The IUPAC name of 7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene (CID 174304936) is 7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene.
What is the SMILES notation for 7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene?
The canonical SMILES for 7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene is CN1CCCOCC2=C(CCCCC2)C1.
What is the InChIKey of 7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene?
The InChIKey is SXIDUNZDTPBIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14-8-5-9-15-11-13-7-4-2-3-6-12(13)10-14/h2-11H2,1H3.
What are the key properties of 7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene?
7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene has a molecular weight of 209.33 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-oxa-7-azabicyclo[7.5.0]tetradec-1(9)-ene is sourced from PubChem (CID 174304936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).