6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H17NO2 — CID 58799738

IUPAC6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC(C)CN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C11H17NO2/c1-6(2)5-12-9(13)7-8(10(12)14)11(7,3)4/h6-8H,5H2,1-4H3
InChIKeyJATKAFKUUSNEGY-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.28
Rot. Bonds2

About 6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 58799738) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID58799738
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC(C)CN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C11H17NO2/c1-6(2)5-12-9(13)7-8(10(12)14)11(7,3)4/h6-8H,5H2,1-4H3
InChIKeyJATKAFKUUSNEGY-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.28
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

2-Ethyl-8-methyl-2,8-diazaspiro(4.5)decane-1,3-dione
CID 87934
2-Ethyl-8-methyl-2,8-diazaspiro(4,5)decane-1,3-dione hydrobromide
CID 87933
3,6,6-Trimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
CID 262986
3-(6-Fluorohex-1-yl)-3-azabicyclo[3.1 .0]hexane-2,4-dione
CID 23289981
2-(2-Fluoropropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 66886880
2-(2-Fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 74222349
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 164674373
Glutarimide, N,3-dimethyl-3-isopropyl-
CID 24838457
(6,6-Dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl-trifluoroboranuide
CID 64828471
2-[(6,6-Dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 113807728
3-(3-Amino-2,2-difluoropropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114384527
3-(3-Fluorobutyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 127013201

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 58799738) is 6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is CC(C)CN1C(=O)C2C(C1=O)C2(C)C.
What is the InChIKey of 6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is JATKAFKUUSNEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6(2)5-12-9(13)7-8(10(12)14)11(7,3)4/h6-8H,5H2,1-4H3.
What are the key properties of 6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 195.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 58799738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).