spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane]

C15H13N — CID 126521759

IUPACspiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane]
SMILESC1=CC2=c3c(cccc3=CC3(CC3)C2)C=N1
InChIInChI=1S/C15H13N/c1-2-11-8-15(5-6-15)9-12-4-7-16-10-13(3-1)14(11)12/h1-4,7-8,10H,5-6,9H2
InChIKeyWKLJDELCQHETRO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.75
Rot. Bonds

About spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane]

spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane] (PubChem CID 126521759) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane].

Molecular Properties

Compound Namespiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane]
PubChem CID126521759
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Namespiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane]
SMILESC1=CC2=c3c(cccc3=CC3(CC3)C2)C=N1
InChIInChI=1S/C15H13N/c1-2-11-8-15(5-6-15)9-12-4-7-16-10-13(3-1)14(11)12/h1-4,7-8,10H,5-6,9H2
InChIKeyWKLJDELCQHETRO-UHFFFAOYSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane]?
The IUPAC name of spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane] (CID 126521759) is spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane].
What is the SMILES notation for spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane]?
The canonical SMILES for spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane] is C1=CC2=c3c(cccc3=CC3(CC3)C2)C=N1.
What is the InChIKey of spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane]?
The InChIKey is WKLJDELCQHETRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-11-8-15(5-6-15)9-12-4-7-16-10-13(3-1)14(11)12/h1-4,7-8,10H,5-6,9H2.
What are the key properties of spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane]?
spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane] has a molecular weight of 207.28 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[11-azatricyclo[7.4.1.05,14]tetradeca-1(14),4,6,8,10,12-hexaene-3,1'-cyclopropane] is sourced from PubChem (CID 126521759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).