3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C7H9NO3 — CID 61207334

IUPAC3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1CCO
InChIInChI=1S/C7H9NO3/c9-2-1-8-6(10)4-3-5(4)7(8)11/h4-5,9H,1-3H2
InChIKeySPLFPXXNFBCFAA-UHFFFAOYSA-N
MW155.15 g/mol
LogP-1.02
Rot. Bonds2

About 3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 61207334) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID61207334
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1CCO
InChIInChI=1S/C7H9NO3/c9-2-1-8-6(10)4-3-5(4)7(8)11/h4-5,9H,1-3H2
InChIKeySPLFPXXNFBCFAA-UHFFFAOYSA-N
XLogP-1.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-1.02
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-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 61207334) is 3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2CC2C(=O)N1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is SPLFPXXNFBCFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-2-1-8-6(10)4-3-5(4)7(8)11/h4-5,9H,1-3H2.
What are the key properties of 3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 155.15 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 61207334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).