(3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one

C15H10N2O — CID 172991311

IUPAC(3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one
SMILESO=C1/C=C\C=C/N=C/C=C2\C1=Nc1ccccc12
InChIInChI=1S/C15H10N2O/c18-14-7-3-4-9-16-10-8-12-11-5-1-2-6-13(11)17-15(12)14/h1-10H/b7-3-,9-4-,12-8-,16-10+
InChIKeyULDQHVNQRNLCOD-NMELXOBKSA-N
MW234.26 g/mol
LogP2.88
Rot. Bonds

About (3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one

(3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one (PubChem CID 172991311) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is (3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one.

Molecular Properties

Compound Name(3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one
PubChem CID172991311
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name(3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one
SMILESO=C1/C=C\C=C/N=C/C=C2\C1=Nc1ccccc12
InChIInChI=1S/C15H10N2O/c18-14-7-3-4-9-16-10-8-12-11-5-1-2-6-13(11)17-15(12)14/h1-10H/b7-3-,9-4-,12-8-,16-10+
InChIKeyULDQHVNQRNLCOD-NMELXOBKSA-N
XLogP2.88
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one?
The IUPAC name of (3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one (CID 172991311) is (3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one.
What is the SMILES notation for (3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one?
The canonical SMILES for (3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one is O=C1/C=C\C=C/N=C/C=C2\C1=Nc1ccccc12.
What is the InChIKey of (3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one?
The InChIKey is ULDQHVNQRNLCOD-NMELXOBKSA-N. The full InChI is InChI=1S/C15H10N2O/c18-14-7-3-4-9-16-10-8-12-11-5-1-2-6-13(11)17-15(12)14/h1-10H/b7-3-,9-4-,12-8-,16-10+.
What are the key properties of (3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one?
(3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one has a molecular weight of 234.26 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,9Z)-7,17-diazatricyclo[8.7.0.011,16]heptadeca-1(17),3,5,7,9,11,13,15-octaen-2-one is sourced from PubChem (CID 172991311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).