tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine

C15H11N — CID 11063579

IUPACtricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine
SMILES[H]N=c1c2ccccc2ccc2ccccc12
InChIInChI=1S/C15H11N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,16H
InChIKeySRAKKTAMBIWGQN-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.47
Rot. Bonds

About tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine

tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine (PubChem CID 11063579) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine.

Molecular Properties

Compound Nametricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine
PubChem CID11063579
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Nametricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine
SMILES[H]N=c1c2ccccc2ccc2ccccc12
InChIInChI=1S/C15H11N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,16H
InChIKeySRAKKTAMBIWGQN-UHFFFAOYSA-N
XLogP3.47
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine?
The IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine (CID 11063579) is tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine.
What is the SMILES notation for tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine?
The canonical SMILES for tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine is [H]N=c1c2ccccc2ccc2ccccc12.
What is the InChIKey of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine?
The InChIKey is SRAKKTAMBIWGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,16H.
What are the key properties of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine?
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine has a molecular weight of 205.26 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine is sourced from PubChem (CID 11063579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).