7-azatricyclo[4.3.0.03,9]nonane

C8H13N — CID 45092436

IUPAC7-azatricyclo[4.3.0.03,9]nonane
SMILESC1CC2NCC3C1CC23
InChIInChI=1S/C8H13N/c1-2-8-6-3-5(1)7(6)4-9-8/h5-9H,1-4H2
InChIKeyNGQBNOBTEYCVBX-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.00
Rot. Bonds

About 7-azatricyclo[4.3.0.03,9]nonane

7-azatricyclo[4.3.0.03,9]nonane (PubChem CID 45092436) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 7-azatricyclo[4.3.0.03,9]nonane.

Molecular Properties

Compound Name7-azatricyclo[4.3.0.03,9]nonane
PubChem CID45092436
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name7-azatricyclo[4.3.0.03,9]nonane
SMILESC1CC2NCC3C1CC23
InChIInChI=1S/C8H13N/c1-2-8-6-3-5(1)7(6)4-9-8/h5-9H,1-4H2
InChIKeyNGQBNOBTEYCVBX-UHFFFAOYSA-N
XLogP1.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-azatricyclo[4.3.0.03,9]nonane?
The IUPAC name of 7-azatricyclo[4.3.0.03,9]nonane (CID 45092436) is 7-azatricyclo[4.3.0.03,9]nonane.
What is the SMILES notation for 7-azatricyclo[4.3.0.03,9]nonane?
The canonical SMILES for 7-azatricyclo[4.3.0.03,9]nonane is C1CC2NCC3C1CC23.
What is the InChIKey of 7-azatricyclo[4.3.0.03,9]nonane?
The InChIKey is NGQBNOBTEYCVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-8-6-3-5(1)7(6)4-9-8/h5-9H,1-4H2.
What are the key properties of 7-azatricyclo[4.3.0.03,9]nonane?
7-azatricyclo[4.3.0.03,9]nonane has a molecular weight of 123.20 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azatricyclo[4.3.0.03,9]nonane is sourced from PubChem (CID 45092436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).