3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

C8H9NO3 — CID 130493104

IUPAC3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1C[C@@H]1CO1
InChIInChI=1S/C8H9NO3/c10-7-5-1-6(5)8(11)9(7)2-4-3-12-4/h4-6H,1-3H2/t4-,5?,6?/m1/s1
InChIKeyANIUJQCUNIJKMO-IISSFJTQSA-N
MW167.16 g/mol
LogP-0.61
Rot. Bonds2

About 3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 130493104) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID130493104
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1C[C@@H]1CO1
InChIInChI=1S/C8H9NO3/c10-7-5-1-6(5)8(11)9(7)2-4-3-12-4/h4-6H,1-3H2/t4-,5?,6?/m1/s1
InChIKeyANIUJQCUNIJKMO-IISSFJTQSA-N
XLogP-0.61
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(2R)-oxiran-2-yl]methyl]-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

Related Compounds

4-(oxiran-2-ylmethyl)-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 87149504
1-(oxiran-2-ylmethyl)-3,5-bis[[(2R)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 22088527
(1aS,2aS,5aR,6aR)-4-[[(1aR,2aR,5aS,6aR)-3,5-dioxo-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindol-4-yl]methyl]-1a,2,2a,5a,6,6a-hexahydrooxireno[2,3-f]isoindole-3,5-dione
CID 98535287
1,4-bis(oxiran-2-ylmethyl)tetrazol-5-one
CID 4594475
1-(oxiran-2-ylmethyl)-3-propylpyrrolidine-2,5-dione
CID 20569171
1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazepane-2,4,6-trione
CID 147689392
(3aR,7aR)-2-[[(2R)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7127018
1-[[(2S)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 118212121
1-chloro-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 86255042
1-methyl-4-(oxiran-2-ylmethyl)piperazine-2,3-dione
CID 62929101
4,7-dimethyl-1-(oxiran-2-ylmethyl)indole-2,3-dione
CID 61356944
3-(2-hydroxy-2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834936

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 130493104) is 3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2CC2C(=O)N1C[C@@H]1CO1.
What is the InChIKey of 3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is ANIUJQCUNIJKMO-IISSFJTQSA-N. The full InChI is InChI=1S/C8H9NO3/c10-7-5-1-6(5)8(11)9(7)2-4-3-12-4/h4-6H,1-3H2/t4-,5?,6?/m1/s1.
What are the key properties of 3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 167.16 g/mol, XLogP of -0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-oxiran-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 130493104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).