2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C13H10N2O6 — CID 163300388

IUPAC2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1[nH]c(=O)c2cc3c(=O)n(C(CO)CO)c(=O)c3cc12
InChIInChI=1S/C13H10N2O6/c16-3-5(4-17)15-12(20)8-1-6-7(2-9(8)13(15)21)11(19)14-10(6)18/h1-2,5,16-17H,3-4H2,(H,14,18,19)
InChIKeyDMVJBCYCXUOGDA-UHFFFAOYSA-N
MW290.23 g/mol
LogP-2.04
Rot. Bonds3

About 2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 163300388) has the molecular formula C13H10N2O6 and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID163300388
Molecular FormulaC13H10N2O6
Molecular Weight290.23 g/mol
Exact Mass290.05
IUPAC Name2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1[nH]c(=O)c2cc3c(=O)n(C(CO)CO)c(=O)c3cc12
InChIInChI=1S/C13H10N2O6/c16-3-5(4-17)15-12(20)8-1-6-7(2-9(8)13(15)21)11(19)14-10(6)18/h1-2,5,16-17H,3-4H2,(H,14,18,19)
InChIKeyDMVJBCYCXUOGDA-UHFFFAOYSA-N
XLogP-2.04
TPSA129.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 163300388) is 2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=c1[nH]c(=O)c2cc3c(=O)n(C(CO)CO)c(=O)c3cc12.
What is the InChIKey of 2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is DMVJBCYCXUOGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O6/c16-3-5(4-17)15-12(20)8-1-6-7(2-9(8)13(15)21)11(19)14-10(6)18/h1-2,5,16-17H,3-4H2,(H,14,18,19).
What are the key properties of 2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 290.23 g/mol, XLogP of -2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 163300388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).