3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C8H11NO2 — CID 89147729

IUPAC3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C8H11NO2/c1-8(2)4-5(8)7(11)9(3)6(4)10/h4-5H,1-3H3
InChIKeyFUPOGVKMQGJCAQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.26
Rot. Bonds

About 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 89147729) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID89147729
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C8H11NO2/c1-8(2)4-5(8)7(11)9(3)6(4)10/h4-5H,1-3H3
InChIKeyFUPOGVKMQGJCAQ-UHFFFAOYSA-N
XLogP0.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.26
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 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 89147729) is 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CN1C(=O)C2C(C1=O)C2(C)C.
What is the InChIKey of 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is FUPOGVKMQGJCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-8(2)4-5(8)7(11)9(3)6(4)10/h4-5H,1-3H3.
What are the key properties of 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 153.18 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 89147729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).