13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene

C13H14N2O2 — CID 164872648

IUPAC13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene
SMILESc1c2c(cc3c1cc1n3CCNCC1)OCO2
InChIInChI=1S/C13H14N2O2/c1-2-14-3-4-15-10(1)5-9-6-12-13(7-11(9)15)17-8-16-12/h5-7,14H,1-4,8H2
InChIKeyYPOAKJRISJUXQC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.52
Rot. Bonds

About 13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene

13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene (PubChem CID 164872648) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene.

Molecular Properties

Compound Name13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene
PubChem CID164872648
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene
SMILESc1c2c(cc3c1cc1n3CCNCC1)OCO2
InChIInChI=1S/C13H14N2O2/c1-2-14-3-4-15-10(1)5-9-6-12-13(7-11(9)15)17-8-16-12/h5-7,14H,1-4,8H2
InChIKeyYPOAKJRISJUXQC-UHFFFAOYSA-N
XLogP1.52
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene?
The IUPAC name of 13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene (CID 164872648) is 13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene.
What is the SMILES notation for 13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene?
The canonical SMILES for 13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene is c1c2c(cc3c1cc1n3CCNCC1)OCO2.
What is the InChIKey of 13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene?
The InChIKey is YPOAKJRISJUXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-14-3-4-15-10(1)5-9-6-12-13(7-11(9)15)17-8-16-12/h5-7,14H,1-4,8H2.
What are the key properties of 13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene?
13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene has a molecular weight of 230.27 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13,15-dioxa-2,5-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),8,10,12(16)-tetraene is sourced from PubChem (CID 164872648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).