(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine

C16H15N — CID 23051203

IUPAC(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
SMILES[H]/N=C1\C2=CC=CCC2/C=C\C=C2\C=CC=CC21
InChIInChI=1S/C16H15N/c17-16-14-10-3-1-6-12(14)8-5-9-13-7-2-4-11-15(13)16/h1-6,8-11,13-14,17H,7H2/b9-5-,12-8-,17-16-
InChIKeyKJBWPWJHEBIKDE-IUPPAGMDSA-N
MW221.30 g/mol
LogP3.75
Rot. Bonds

About (8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine

(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine (PubChem CID 23051203) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is (8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine.

Molecular Properties

Compound Name(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
PubChem CID23051203
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
SMILES[H]/N=C1\C2=CC=CCC2/C=C\C=C2\C=CC=CC21
InChIInChI=1S/C16H15N/c17-16-14-10-3-1-6-12(14)8-5-9-13-7-2-4-11-15(13)16/h1-6,8-11,13-14,17H,7H2/b9-5-,12-8-,17-16-
InChIKeyKJBWPWJHEBIKDE-IUPPAGMDSA-N
XLogP3.75
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine?
The IUPAC name of (8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine (CID 23051203) is (8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine.
What is the SMILES notation for (8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine?
The canonical SMILES for (8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine is [H]/N=C1\C2=CC=CCC2/C=C\C=C2\C=CC=CC21.
What is the InChIKey of (8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine?
The InChIKey is KJBWPWJHEBIKDE-IUPPAGMDSA-N. The full InChI is InChI=1S/C16H15N/c17-16-14-10-3-1-6-12(14)8-5-9-13-7-2-4-11-15(13)16/h1-6,8-11,13-14,17H,7H2/b9-5-,12-8-,17-16-.
What are the key properties of (8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine?
(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine has a molecular weight of 221.30 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine is sourced from PubChem (CID 23051203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).