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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Related Compounds

4,10-ditert-butyl-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 166040088
(1R,5S)-3-tert-butyl-6-(2-fluorophenyl)-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 132851284
5-tert-butyl-3-methyl-1-naphthalen-1-yl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
CID 3756991
(1R,2R,6S,7S)-4-tert-butylspiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 819324
6,6-dimethyl-3-(2-oxobutyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834929
3-[2-(bromomethyl)-3,3-dimethylbutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 65014656
3-(2-hydroxyethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836115
3-[(E)-4-chlorobut-2-enyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836413
methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 158665325
3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 103935403
4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione
CID 146324613
(5R,6R)-3-tert-butyl-5-chloro-6-methyl-1,3-diazinane-2,4-dione
CID 720708

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).