3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H17NO2 — CID 59551502

IUPAC3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(C(C)(C)C)C(=O)C21
InChIInChI=1S/C11H17NO2/c1-10(2,3)12-8(13)6-7(9(12)14)11(6,4)5/h6-7H,1-5H3
InChIKeyBWCMLJLXSHOQLV-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.43
Rot. Bonds

About 3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 59551502) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID59551502
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(C(C)(C)C)C(=O)C21
InChIInChI=1S/C11H17NO2/c1-10(2,3)12-8(13)6-7(9(12)14)11(6,4)5/h6-7H,1-5H3
InChIKeyBWCMLJLXSHOQLV-UHFFFAOYSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 59551502) is 3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC1(C)C2C(=O)N(C(C)(C)C)C(=O)C21.
What is the InChIKey of 3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is BWCMLJLXSHOQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-10(2,3)12-8(13)6-7(9(12)14)11(6,4)5/h6-7H,1-5H3.
What are the key properties of 3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 195.26 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 59551502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).