3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H16N2O2 — CID 64836044

IUPAC3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCNC(CN1C(=O)C2CC2C1=O)C1CC1
InChIInChI=1S/C11H16N2O2/c1-12-9(6-2-3-6)5-13-10(14)7-4-8(7)11(13)15/h6-9,12H,2-5H2,1H3
InChIKeyGOFNRGPNZDSDMA-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.01
Rot. Bonds4

About 3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64836044) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64836044
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCNC(CN1C(=O)C2CC2C1=O)C1CC1
InChIInChI=1S/C11H16N2O2/c1-12-9(6-2-3-6)5-13-10(14)7-4-8(7)11(13)15/h6-9,12H,2-5H2,1H3
InChIKeyGOFNRGPNZDSDMA-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.01
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 3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64836044) is 3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is CNC(CN1C(=O)C2CC2C1=O)C1CC1.
What is the InChIKey of 3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is GOFNRGPNZDSDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-9(6-2-3-6)5-13-10(14)7-4-8(7)11(13)15/h6-9,12H,2-5H2,1H3.
What are the key properties of 3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64836044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).