tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane

C11H21NO3 — CID 174620186

IUPACtert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
SMILESC1CCC2OC2C1.CC(C)(C)OC(N)=O
InChIInChI=1S/C6H10O.C5H11NO2/c1-2-4-6-5(3-1)7-6;1-5(2,3)8-4(6)7/h5-6H,1-4H2;1-3H3,(H2,6,7)
InChIKeyJPSLGACPKWTAKD-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.21
Rot. Bonds

About tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane

tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane (PubChem CID 174620186) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Nametert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
PubChem CID174620186
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
SMILESC1CCC2OC2C1.CC(C)(C)OC(N)=O
InChIInChI=1S/C6H10O.C5H11NO2/c1-2-4-6-5(3-1)7-6;1-5(2,3)8-4(6)7/h5-6H,1-4H2;1-3H3,(H2,6,7)
InChIKeyJPSLGACPKWTAKD-UHFFFAOYSA-N
XLogP2.21
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane?
The IUPAC name of tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane (CID 174620186) is tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane is C1CCC2OC2C1.CC(C)(C)OC(N)=O.
What is the InChIKey of tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane?
The InChIKey is JPSLGACPKWTAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C5H11NO2/c1-2-4-6-5(3-1)7-6;1-5(2,3)8-4(6)7/h5-6H,1-4H2;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane?
tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane has a molecular weight of 215.29 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 174620186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).