(1R,5S)-3-azabicyclo[3.1.0]hexane

C5H9N — CID 13150524

IUPAC(1R,5S)-3-azabicyclo[3.1.0]hexane
SMILESC1NC[C@H]2C[C@@H]12
InChIInChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2/t4-,5+
InChIKeyHGWUUOXXAIISDB-SYDPRGILSA-N
MW83.13 g/mol
LogP0.23
Rot. Bonds

About (1R,5S)-3-azabicyclo[3.1.0]hexane

(1R,5S)-3-azabicyclo[3.1.0]hexane (PubChem CID 13150524) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is (1R,5S)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-3-azabicyclo[3.1.0]hexane
PubChem CID13150524
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name(1R,5S)-3-azabicyclo[3.1.0]hexane
SMILESC1NC[C@H]2C[C@@H]12
InChIInChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2/t4-,5+
InChIKeyHGWUUOXXAIISDB-SYDPRGILSA-N
XLogP0.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6-Dimethyl-3-azabicyclo(3.1.0)hexane
CID 54594901
6,6-Difluoro-3-azabicyclo(3.1.0)hexane
CID 45158913
3-Azabicyclo[3.1.0]hexane hydrochloride
CID 22335289
6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride
CID 45158912
(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792565
2-Azabicyclo[3.1.0]hexane hydrochloride
CID 67358156
1-Methyl-3-azabicyclo(3.1.0)hexane;hydrochloride
CID 69121344
(1R,5S,6R)-6-ethynyl-3-azabicyclo(3.1.0)hexane hydrochloride
CID 155973796
3-Azabicyclo(3.1.0)hexane
CID 13150523
2-Azabicyclo[3.1.0]hexane
CID 17783223
(1r,5s,6s)-6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 39872416
6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 47003426

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-3-azabicyclo[3.1.0]hexane (CID 13150524) is (1R,5S)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-3-azabicyclo[3.1.0]hexane is C1NC[C@H]2C[C@@H]12.
What is the InChIKey of (1R,5S)-3-azabicyclo[3.1.0]hexane?
The InChIKey is HGWUUOXXAIISDB-SYDPRGILSA-N. The full InChI is InChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2/t4-,5+.
What are the key properties of (1R,5S)-3-azabicyclo[3.1.0]hexane?
(1R,5S)-3-azabicyclo[3.1.0]hexane has a molecular weight of 83.13 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 13150524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).