spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one

C15H11N3O — CID 18918189

IUPACspiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one
SMILESO=c1[nH]c2c(n3ccnc13)C1(CC1)c1ccccc1-2
InChIInChI=1S/C15H11N3O/c19-14-13-16-7-8-18(13)12-11(17-14)9-3-1-2-4-10(9)15(12)5-6-15/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyJCUNULSCBAFRIT-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.08
Rot. Bonds

About spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one

spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one (PubChem CID 18918189) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one.

Molecular Properties

Compound Namespiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one
PubChem CID18918189
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Namespiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one
SMILESO=c1[nH]c2c(n3ccnc13)C1(CC1)c1ccccc1-2
InChIInChI=1S/C15H11N3O/c19-14-13-16-7-8-18(13)12-11(17-14)9-3-1-2-4-10(9)15(12)5-6-15/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyJCUNULSCBAFRIT-UHFFFAOYSA-N
XLogP2.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one?
The IUPAC name of spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one (CID 18918189) is spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one.
What is the SMILES notation for spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one?
The canonical SMILES for spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one is O=c1[nH]c2c(n3ccnc13)C1(CC1)c1ccccc1-2.
What is the InChIKey of spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one?
The InChIKey is JCUNULSCBAFRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-14-13-16-7-8-18(13)12-11(17-14)9-3-1-2-4-10(9)15(12)5-6-15/h1-4,7-8H,5-6H2,(H,17,19).
What are the key properties of spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one?
spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one has a molecular weight of 249.27 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,1'-cyclopropane]-7-one is sourced from PubChem (CID 18918189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).