N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide

C10H18N2O2 — CID 112603310

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1C2CNCC21
InChIInChI=1S/C10H18N2O2/c1-6(2)14-5-9(13)12-10-7-3-11-4-8(7)10/h6-8,10-11H,3-5H2,1-2H3,(H,12,13)
InChIKeyCXIMPUUHJHYJPC-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.25
Rot. Bonds4

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide (PubChem CID 112603310) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide
PubChem CID112603310
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1C2CNCC21
InChIInChI=1S/C10H18N2O2/c1-6(2)14-5-9(13)12-10-7-3-11-4-8(7)10/h6-8,10-11H,3-5H2,1-2H3,(H,12,13)
InChIKeyCXIMPUUHJHYJPC-UHFFFAOYSA-N
XLogP-0.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide (CID 112603310) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide?
The InChIKey is CXIMPUUHJHYJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(2)14-5-9(13)12-10-7-3-11-4-8(7)10/h6-8,10-11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide has a molecular weight of 198.27 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112603310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).