propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate

C10H17NO2 — CID 168985983

IUPACpropan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate
SMILESCC(C)OC(=O)CC1CC2CC2N1
InChIInChI=1S/C10H17NO2/c1-6(2)13-10(12)5-8-3-7-4-9(7)11-8/h6-9,11H,3-5H2,1-2H3
InChIKeyVVCBTVAEABGRMG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds3

About propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate

propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate (PubChem CID 168985983) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate
PubChem CID168985983
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namepropan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate
SMILESCC(C)OC(=O)CC1CC2CC2N1
InChIInChI=1S/C10H17NO2/c1-6(2)13-10(12)5-8-3-7-4-9(7)11-8/h6-9,11H,3-5H2,1-2H3
InChIKeyVVCBTVAEABGRMG-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate?
The IUPAC name of propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate (CID 168985983) is propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate?
The canonical SMILES for propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate is CC(C)OC(=O)CC1CC2CC2N1.
What is the InChIKey of propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate?
The InChIKey is VVCBTVAEABGRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(2)13-10(12)5-8-3-7-4-9(7)11-8/h6-9,11H,3-5H2,1-2H3.
What are the key properties of propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate?
propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate has a molecular weight of 183.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-azabicyclo[3.1.0]hexan-3-yl)acetate is sourced from PubChem (CID 168985983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).