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

C11H9NO3 — CID 60885794

IUPAC3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C11H9NO3/c13-7-3-1-6(2-4-7)12-10(14)8-5-9(8)11(12)15/h1-4,8-9,13H,5H2
InChIKeyIMOLYGIYRGQAIU-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.90
Rot. Bonds1

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

3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 60885794) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID60885794
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C11H9NO3/c13-7-3-1-6(2-4-7)12-10(14)8-5-9(8)11(12)15/h1-4,8-9,13H,5H2
InChIKeyIMOLYGIYRGQAIU-UHFFFAOYSA-N
XLogP0.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dibromo-2-(4-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3114403
(3aR,7aR)-2-(4-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7035661
2-(4-hydroxyphenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3132078
(1R,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100138
(1S,5S)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100139
(1R,2R,6R,7R)-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124723966
2-(4-hydroxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 59164706
(1S,2S,6R,7R)-4-(4-hydroxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 176618324
(1R,2S,6S,7R,8S,9S)-8,9-dibromo-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98455634
(2R,6R,8R,12R)-4,10-bis(4-hydroxyphenyl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 11945203
4,10-bis(4-hydroxyphenyl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 3104050
3-[4-(ethylaminomethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 106913259

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 60885794) is 3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2CC2C(=O)N1c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is IMOLYGIYRGQAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-7-3-1-6(2-4-7)12-10(14)8-5-9(8)11(12)15/h1-4,8-9,13H,5H2.
What are the key properties of 3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 203.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 60885794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).