1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C10H15NO2 — CID 20702455

IUPAC1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCN1C(=O)C2(C)C(C)(C)C2(C)C1=O
InChIInChI=1S/C10H15NO2/c1-8(2)9(3)6(12)11(5)7(13)10(8,9)4/h1-5H3
InChIKeyVLAUGEIEGOXVFU-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.04
Rot. Bonds

About 1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 20702455) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID20702455
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCN1C(=O)C2(C)C(C)(C)C2(C)C1=O
InChIInChI=1S/C10H15NO2/c1-8(2)9(3)6(12)11(5)7(13)10(8,9)4/h1-5H3
InChIKeyVLAUGEIEGOXVFU-UHFFFAOYSA-N
XLogP1.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.04
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
3,6,6-Trimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
CID 262986
3-Tert-butyl-1-methylpyrrolidine-2,5-dione
CID 14736437
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 164674373
(6,6-Dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl-trifluoroboranuide
CID 64828471
(1R,5S)-3-ethyl-5-methyl-3-azabicyclo[3.1.0]hexan-2-one
CID 10486919
(1S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 10486920
2,8-Dimethyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 11084779
3-Butyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 13758766
N, 3-dimethylcyclopropane-1,2-dicarboximide
CID 20468377
8-Ethyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 20622670
2-(1-Methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetonitrile
CID 22396545

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 20702455) is 1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CN1C(=O)C2(C)C(C)(C)C2(C)C1=O.
What is the InChIKey of 1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is VLAUGEIEGOXVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)9(3)6(12)11(5)7(13)10(8,9)4/h1-5H3.
What are the key properties of 1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 181.23 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6,6-pentamethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 20702455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).