(1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide

C10H17NO2 — CID 171456680

IUPAC(1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(C)NC(=O)C1[C@H]2COC[C@@H]12
InChIInChI=1S/C10H17NO2/c1-10(2,3)11-9(12)8-6-4-13-5-7(6)8/h6-8H,4-5H2,1-3H3,(H,11,12)/t6-,7+,8?
InChIKeyCEVIDZCDZYLJRI-DHBOJHSNSA-N
MW183.25 g/mol
LogP0.79
Rot. Bonds1

About (1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 171456680) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID171456680
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(C)NC(=O)C1[C@H]2COC[C@@H]12
InChIInChI=1S/C10H17NO2/c1-10(2,3)11-9(12)8-6-4-13-5-7(6)8/h6-8H,4-5H2,1-3H3,(H,11,12)/t6-,7+,8?
InChIKeyCEVIDZCDZYLJRI-DHBOJHSNSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 171456680) is (1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(C)NC(=O)C1[C@H]2COC[C@@H]12.
What is the InChIKey of (1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is CEVIDZCDZYLJRI-DHBOJHSNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)11-9(12)8-6-4-13-5-7(6)8/h6-8H,4-5H2,1-3H3,(H,11,12)/t6-,7+,8?.
What are the key properties of (1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-tert-butyl-3-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 171456680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).