3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione

C11H12N2O4 — CID 90875092

IUPAC3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c(O)c3c(c2O)CC3)C(=O)N1
InChIInChI=1S/C11H12N2O4/c14-8-4-3-7(9(15)12-8)13-10(16)5-1-2-6(5)11(13)17/h7,16-17H,1-4H2,(H,12,14,15)
InChIKeyWUBQKFASSDREFZ-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.02
Rot. Bonds1

About 3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione

3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione (PubChem CID 90875092) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione
PubChem CID90875092
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c(O)c3c(c2O)CC3)C(=O)N1
InChIInChI=1S/C11H12N2O4/c14-8-4-3-7(9(15)12-8)13-10(16)5-1-2-6(5)11(13)17/h7,16-17H,1-4H2,(H,12,14,15)
InChIKeyWUBQKFASSDREFZ-UHFFFAOYSA-N
XLogP-0.02
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[(1-Aminocycloheptyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
CID 123138296
3-[3-[(1-Aminocyclopentyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
CID 123452489
3-[3-[(1-Aminocyclohexyl)methyl]-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
CID 123584046
3-(4-Amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione
CID 123645575
3-[3-(3-Ethyl-3-methylpentyl)-2,5-dihydroxy-4-propylpyrrol-1-yl]piperidine-2,6-dione
CID 123978092
3-(6,8-Dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione
CID 166923720

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione (CID 90875092) is 3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione is O=C1CCC(n2c(O)c3c(c2O)CC3)C(=O)N1.
What is the InChIKey of 3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione?
The InChIKey is WUBQKFASSDREFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-8-4-3-7(9(15)12-8)13-10(16)5-1-2-6(5)11(13)17/h7,16-17H,1-4H2,(H,12,14,15).
What are the key properties of 3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione?
3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione has a molecular weight of 236.23 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxy-3-azabicyclo[3.2.0]hepta-1,4-dien-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 90875092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).