1-azatricyclo[5.1.0.02,4]octane

C7H11N — CID 130224597

IUPAC1-azatricyclo[5.1.0.02,4]octane
SMILESC1CC2CN2C2CC12
InChIInChI=1S/C7H11N/c1-2-6-4-8(6)7-3-5(1)7/h5-7H,1-4H2
InChIKeyQPOGLBNTFOEECE-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.85
Rot. Bonds

About 1-azatricyclo[5.1.0.02,4]octane

1-azatricyclo[5.1.0.02,4]octane (PubChem CID 130224597) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-azatricyclo[5.1.0.02,4]octane.

Molecular Properties

Compound Name1-azatricyclo[5.1.0.02,4]octane
PubChem CID130224597
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-azatricyclo[5.1.0.02,4]octane
SMILESC1CC2CN2C2CC12
InChIInChI=1S/C7H11N/c1-2-6-4-8(6)7-3-5(1)7/h5-7H,1-4H2
InChIKeyQPOGLBNTFOEECE-UHFFFAOYSA-N
XLogP0.85
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1S,4S)-2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 71031724
1-azatricyclo[4.2.0.02,4]octane
CID 131843917
(1S,8R)-5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane
CID 89142286
5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane
CID 88971570
2,5-diazatricyclo[6.2.1.02,7]undecane
CID 74874734
(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride
CID 130992359
6-cyclobutyl-6-azabicyclo[3.2.0]heptane
CID 130669812
2,4-diazatricyclo[5.2.1.02,6]dec-3-ene
CID 90837373
2-cyclopentyl-2-azabicyclo[2.2.2]octan-5-amine
CID 117050347
10-methyl-2-azatricyclo[5.3.1.02,6]undecane
CID 71430606
[(1S,4S)-5-(2-bicyclo[2.2.1]heptanyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfane
CID 58178703
(2S)-1-cyclopropyl-2-methylaziridine
CID 147795465

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[5.1.0.02,4]octane?
The IUPAC name of 1-azatricyclo[5.1.0.02,4]octane (CID 130224597) is 1-azatricyclo[5.1.0.02,4]octane.
What is the SMILES notation for 1-azatricyclo[5.1.0.02,4]octane?
The canonical SMILES for 1-azatricyclo[5.1.0.02,4]octane is C1CC2CN2C2CC12.
What is the InChIKey of 1-azatricyclo[5.1.0.02,4]octane?
The InChIKey is QPOGLBNTFOEECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-6-4-8(6)7-3-5(1)7/h5-7H,1-4H2.
What are the key properties of 1-azatricyclo[5.1.0.02,4]octane?
1-azatricyclo[5.1.0.02,4]octane has a molecular weight of 109.17 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[5.1.0.02,4]octane is sourced from PubChem (CID 130224597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).