14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene

C12H19NO — CID 12637118

IUPAC14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene
SMILESc1nc2oc1CCCCCCCCC2
InChIInChI=1S/C12H19NO/c1-2-4-6-8-11-10-13-12(14-11)9-7-5-3-1/h10H,1-9H2
InChIKeyDQUFASBRTWDPCS-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.50
Rot. Bonds

About 14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene

14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene (PubChem CID 12637118) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene.

Molecular Properties

Compound Name14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene
PubChem CID12637118
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene
SMILESc1nc2oc1CCCCCCCCC2
InChIInChI=1S/C12H19NO/c1-2-4-6-8-11-10-13-12(14-11)9-7-5-3-1/h10H,1-9H2
InChIKeyDQUFASBRTWDPCS-UHFFFAOYSA-N
XLogP3.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene?
The IUPAC name of 14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene (CID 12637118) is 14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene.
What is the SMILES notation for 14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene?
The canonical SMILES for 14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene is c1nc2oc1CCCCCCCCC2.
What is the InChIKey of 14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene?
The InChIKey is DQUFASBRTWDPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-4-6-8-11-10-13-12(14-11)9-7-5-3-1/h10H,1-9H2.
What are the key properties of 14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene?
14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene has a molecular weight of 193.29 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-12-azabicyclo[9.2.1]tetradeca-1(13),11-diene is sourced from PubChem (CID 12637118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).