5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene

C14H19N — CID 19787957

IUPAC5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene
SMILESC1=CC2CC=CC3CNCCC3C2C=C1
InChIInChI=1S/C14H19N/c1-2-7-13-11(4-1)5-3-6-12-10-15-9-8-14(12)13/h1-4,6-7,11-15H,5,8-10H2
InChIKeyYZUQQASFSVNTQK-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.53
Rot. Bonds

About 5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene

5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene (PubChem CID 19787957) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene.

Molecular Properties

Compound Name5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene
PubChem CID19787957
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene
SMILESC1=CC2CC=CC3CNCCC3C2C=C1
InChIInChI=1S/C14H19N/c1-2-7-13-11(4-1)5-3-6-12-10-15-9-8-14(12)13/h1-4,6-7,11-15H,5,8-10H2
InChIKeyYZUQQASFSVNTQK-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene?
The IUPAC name of 5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene (CID 19787957) is 5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene.
What is the SMILES notation for 5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene?
The canonical SMILES for 5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene is C1=CC2CC=CC3CNCCC3C2C=C1.
What is the InChIKey of 5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene?
The InChIKey is YZUQQASFSVNTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-7-13-11(4-1)5-3-6-12-10-15-9-8-14(12)13/h1-4,6-7,11-15H,5,8-10H2.
What are the key properties of 5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene?
5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene has a molecular weight of 201.31 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene is sourced from PubChem (CID 19787957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).