ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H19NO2 — CID 143012227

IUPACethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC.CCN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C9H13NO2.C2H6/c1-4-10-7(11)5-6(8(10)12)9(5,2)3;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyDZWBUIXZQRYOQP-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.67
Rot. Bonds1

About ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 143012227) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Nameethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID143012227
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC.CCN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C9H13NO2.C2H6/c1-4-10-7(11)5-6(8(10)12)9(5,2)3;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyDZWBUIXZQRYOQP-UHFFFAOYSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 143012227) is ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC.CCN1C(=O)C2C(C1=O)C2(C)C.
What is the InChIKey of ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is DZWBUIXZQRYOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.C2H6/c1-4-10-7(11)5-6(8(10)12)9(5,2)3;1-2/h5-6H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 197.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 143012227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).