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

C7H10N2O2 — CID 82416686

IUPAC6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCN1C(=O)C2C(N)C2C1=O
InChIInChI=1S/C7H10N2O2/c1-2-9-6(10)3-4(5(3)8)7(9)11/h3-5H,2,8H2,1H3
InChIKeyZLSUCHCZHYDJEH-UHFFFAOYSA-N
MW154.17 g/mol
LogP-1.05
Rot. Bonds1

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

6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 82416686) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID82416686
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCN1C(=O)C2C(N)C2C1=O
InChIInChI=1S/C7H10N2O2/c1-2-9-6(10)3-4(5(3)8)7(9)11/h3-5H,2,8H2,1H3
InChIKeyZLSUCHCZHYDJEH-UHFFFAOYSA-N
XLogP-1.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 82416686) is 6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CCN1C(=O)C2C(N)C2C1=O.
What is the InChIKey of 6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is ZLSUCHCZHYDJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-9-6(10)3-4(5(3)8)7(9)11/h3-5H,2,8H2,1H3.
What are the key properties of 6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 154.17 g/mol, XLogP of -1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 82416686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).