(13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene

C14H13NO2 — CID 7081931

IUPAC(13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)OC[C@@H]1CON[C@@H]31
InChIInChI=1S/C14H13NO2/c1-2-4-11-9(3-1)5-6-12-13(11)14-10(7-16-12)8-17-15-14/h1-6,10,14-15H,7-8H2/t10-,14-/m1/s1
InChIKeyQAXKEZGOMLRGLA-QMTHXVAHSA-N
MW227.26 g/mol
LogP2.42
Rot. Bonds

About (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene

(13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene (PubChem CID 7081931) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene.

Molecular Properties

Compound Name(13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
PubChem CID7081931
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
SMILESc1ccc2c3c(ccc2c1)OC[C@@H]1CON[C@@H]31
InChIInChI=1S/C14H13NO2/c1-2-4-11-9(3-1)5-6-12-13(11)14-10(7-16-12)8-17-15-14/h1-6,10,14-15H,7-8H2/t10-,14-/m1/s1
InChIKeyQAXKEZGOMLRGLA-QMTHXVAHSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene?
The IUPAC name of (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene (CID 7081931) is (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene.
What is the SMILES notation for (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene?
The canonical SMILES for (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene is c1ccc2c3c(ccc2c1)OC[C@@H]1CON[C@@H]31.
What is the InChIKey of (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene?
The InChIKey is QAXKEZGOMLRGLA-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-4-11-9(3-1)5-6-12-13(11)14-10(7-16-12)8-17-15-14/h1-6,10,14-15H,7-8H2/t10-,14-/m1/s1.
What are the key properties of (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene?
(13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene has a molecular weight of 227.26 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene is sourced from PubChem (CID 7081931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).