1-azatricyclo[4.2.0.02,4]octane

C7H11N — CID 131843917

IUPAC1-azatricyclo[4.2.0.02,4]octane
SMILESC1CN2C1CC1CC12
InChIInChI=1S/C7H11N/c1-2-8-6(1)3-5-4-7(5)8/h5-7H,1-4H2
InChIKeyJKPLZVYXOSCJFT-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.85
Rot. Bonds

About 1-azatricyclo[4.2.0.02,4]octane

1-azatricyclo[4.2.0.02,4]octane (PubChem CID 131843917) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-azatricyclo[4.2.0.02,4]octane.

Molecular Properties

Compound Name1-azatricyclo[4.2.0.02,4]octane
PubChem CID131843917
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-azatricyclo[4.2.0.02,4]octane
SMILESC1CN2C1CC1CC12
InChIInChI=1S/C7H11N/c1-2-8-6(1)3-5-4-7(5)8/h5-7H,1-4H2
InChIKeyJKPLZVYXOSCJFT-UHFFFAOYSA-N
XLogP0.85
TPSA3.24 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

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Related Compounds

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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
1-azatricyclo[5.1.0.02,4]octane
CID 130224597
(3aS,4aR,6R,8aS)-2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole-6-carboxylic acid
CID 97036329
[1-(3-bicyclo[4.1.0]heptanyl)azetidin-2-yl]methanamine
CID 164644707
1,2-dicyclohexylpiperidin-4-ol
CID 139860262
(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
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)pyrrole;ethane
CID 91398120
3-(2-cyclopentylpyrrolidin-1-yl)cyclopentan-1-ol
CID 79644193
(3aR,7R,7aS,8aR)-7-methyl-1,2,3,3a,5,6,7,7a,8,8a-decahydrocyclopenta[b]pyrrolizine
CID 99943828

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[4.2.0.02,4]octane?
The IUPAC name of 1-azatricyclo[4.2.0.02,4]octane (CID 131843917) is 1-azatricyclo[4.2.0.02,4]octane.
What is the SMILES notation for 1-azatricyclo[4.2.0.02,4]octane?
The canonical SMILES for 1-azatricyclo[4.2.0.02,4]octane is C1CN2C1CC1CC12.
What is the InChIKey of 1-azatricyclo[4.2.0.02,4]octane?
The InChIKey is JKPLZVYXOSCJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-8-6(1)3-5-4-7(5)8/h5-7H,1-4H2.
What are the key properties of 1-azatricyclo[4.2.0.02,4]octane?
1-azatricyclo[4.2.0.02,4]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[4.2.0.02,4]octane is sourced from PubChem (CID 131843917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).