3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione

C14H10N4O5 — CID 166923720

IUPAC3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione
SMILESO=C1N=c2ccc3c(O)n(C4CCC(=O)NC4=O)c(O)c3c2=N1
InChIInChI=1S/C14H10N4O5/c19-8-4-3-7(11(20)16-8)18-12(21)5-1-2-6-10(9(5)13(18)22)17-14(23)15-6/h1-2,7,21-22H,3-4H2,(H,16,19,20)
InChIKeySZTCHOLGJDDAQZ-UHFFFAOYSA-N
MW314.26 g/mol
LogP-0.60
Rot. Bonds1

About 3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione

3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione (PubChem CID 166923720) has the molecular formula C14H10N4O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is 3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione
PubChem CID166923720
Molecular FormulaC14H10N4O5
Molecular Weight314.26 g/mol
Exact Mass314.07
IUPAC Name3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione
SMILESO=C1N=c2ccc3c(O)n(C4CCC(=O)NC4=O)c(O)c3c2=N1
InChIInChI=1S/C14H10N4O5/c19-8-4-3-7(11(20)16-8)18-12(21)5-1-2-6-10(9(5)13(18)22)17-14(23)15-6/h1-2,7,21-22H,3-4H2,(H,16,19,20)
InChIKeySZTCHOLGJDDAQZ-UHFFFAOYSA-N
XLogP-0.60
TPSA133.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione (CID 166923720) is 3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione is O=C1N=c2ccc3c(O)n(C4CCC(=O)NC4=O)c(O)c3c2=N1.
What is the InChIKey of 3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione?
The InChIKey is SZTCHOLGJDDAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O5/c19-8-4-3-7(11(20)16-8)18-12(21)5-1-2-6-10(9(5)13(18)22)17-14(23)15-6/h1-2,7,21-22H,3-4H2,(H,16,19,20).
What are the key properties of 3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione?
3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione has a molecular weight of 314.26 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydroxy-2-oxopyrrolo[3,4-e]benzimidazol-7-yl)piperidine-2,6-dione is sourced from PubChem (CID 166923720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).