6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene

C14H21NO — CID 144539743

IUPAC6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene
SMILESCN1CCCC2=C(C=CCC=C2)COCC1
InChIInChI=1S/C14H21NO/c1-15-9-5-8-13-6-3-2-4-7-14(13)12-16-11-10-15/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyYEOMMWZCWBIKRV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.54
Rot. Bonds

About 6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene

6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene (PubChem CID 144539743) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene.

Molecular Properties

Compound Name6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene
PubChem CID144539743
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene
SMILESCN1CCCC2=C(C=CCC=C2)COCC1
InChIInChI=1S/C14H21NO/c1-15-9-5-8-13-6-3-2-4-7-14(13)12-16-11-10-15/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyYEOMMWZCWBIKRV-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene?
The IUPAC name of 6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene (CID 144539743) is 6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene.
What is the SMILES notation for 6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene?
The canonical SMILES for 6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene is CN1CCCC2=C(C=CCC=C2)COCC1.
What is the InChIKey of 6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene?
The InChIKey is YEOMMWZCWBIKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-15-9-5-8-13-6-3-2-4-7-14(13)12-16-11-10-15/h3-4,6-7H,2,5,8-12H2,1H3.
What are the key properties of 6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene?
6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene has a molecular weight of 219.33 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxa-6-azabicyclo[8.5.0]pentadeca-1(10),11,14-triene is sourced from PubChem (CID 144539743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).