(9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene

C12H15NO — CID 137386405

IUPAC(9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene
SMILESC1=CC2=C[C@@H](C=C1)OC1CNCCC21
InChIInChI=1S/C12H15NO/c1-2-4-10-7-9(3-1)11-5-6-13-8-12(11)14-10/h1-4,7,10-13H,5-6,8H2/t10-,11?,12?/m1/s1
InChIKeyRCENKTBVWMNWKX-VOMCLLRMSA-N
MW189.26 g/mol
LogP1.42
Rot. Bonds

About (9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene

(9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene (PubChem CID 137386405) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene.

Molecular Properties

Compound Name(9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene
PubChem CID137386405
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene
SMILESC1=CC2=C[C@@H](C=C1)OC1CNCCC21
InChIInChI=1S/C12H15NO/c1-2-4-10-7-9(3-1)11-5-6-13-8-12(11)14-10/h1-4,7,10-13H,5-6,8H2/t10-,11?,12?/m1/s1
InChIKeyRCENKTBVWMNWKX-VOMCLLRMSA-N
XLogP1.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene?
The IUPAC name of (9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene (CID 137386405) is (9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene.
What is the SMILES notation for (9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene?
The canonical SMILES for (9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene is C1=CC2=C[C@@H](C=C1)OC1CNCCC21.
What is the InChIKey of (9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene?
The InChIKey is RCENKTBVWMNWKX-VOMCLLRMSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-10-7-9(3-1)11-5-6-13-8-12(11)14-10/h1-4,7,10-13H,5-6,8H2/t10-,11?,12?/m1/s1.
What are the key properties of (9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene?
(9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene has a molecular weight of 189.26 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-8-oxa-5-azatricyclo[7.4.1.02,7]tetradeca-1(14),10,12-triene is sourced from PubChem (CID 137386405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).