(1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one

C15H10N2O — CID 138756933

IUPAC(1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one
SMILESO=C1C=Cc2ccc3/c(c2=N1)=C\C=C/C=C\C=N/3
InChIInChI=1S/C15H10N2O/c18-14-9-7-11-6-8-13-12(15(11)17-14)5-3-1-2-4-10-16-13/h1-10H/b3-1-,4-2-,12-5+,16-10-
InChIKeyIFWGNHQWAPFYBK-SDHRBYAOSA-N
MW234.26 g/mol
LogP1.47
Rot. Bonds

About (1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one

(1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one (PubChem CID 138756933) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is (1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one.

Molecular Properties

Compound Name(1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one
PubChem CID138756933
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name(1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one
SMILESO=C1C=Cc2ccc3/c(c2=N1)=C\C=C/C=C\C=N/3
InChIInChI=1S/C15H10N2O/c18-14-9-7-11-6-8-13-12(15(11)17-14)5-3-1-2-4-10-16-13/h1-10H/b3-1-,4-2-,12-5+,16-10-
InChIKeyIFWGNHQWAPFYBK-SDHRBYAOSA-N
XLogP1.47
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one?
The IUPAC name of (1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one (CID 138756933) is (1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one.
What is the SMILES notation for (1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one?
The canonical SMILES for (1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one is O=C1C=Cc2ccc3/c(c2=N1)=C\C=C/C=C\C=N/3.
What is the InChIKey of (1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one?
The InChIKey is IFWGNHQWAPFYBK-SDHRBYAOSA-N. The full InChI is InChI=1S/C15H10N2O/c18-14-9-7-11-6-8-13-12(15(11)17-14)5-3-1-2-4-10-16-13/h1-10H/b3-1-,4-2-,12-5+,16-10-.
What are the key properties of (1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one?
(1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one has a molecular weight of 234.26 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,13Z,15Z)-3,11-diazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaen-4-one is sourced from PubChem (CID 138756933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).