2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C13H10N2O5 — CID 170189407

IUPAC2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCCOn1c(=O)c2cc3c(=O)[nH]c(=O)c3cc2c1=O
InChIInChI=1S/C13H10N2O5/c1-2-3-20-15-12(18)8-4-6-7(5-9(8)13(15)19)11(17)14-10(6)16/h4-5H,2-3H2,1H3,(H,14,16,17)
InChIKeyDWRZPZDMNBFCBI-UHFFFAOYSA-N
MW274.23 g/mol
LogP-0.72
Rot. Bonds3

About 2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 170189407) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID170189407
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCCOn1c(=O)c2cc3c(=O)[nH]c(=O)c3cc2c1=O
InChIInChI=1S/C13H10N2O5/c1-2-3-20-15-12(18)8-4-6-7(5-9(8)13(15)19)11(17)14-10(6)16/h4-5H,2-3H2,1H3,(H,14,16,17)
InChIKeyDWRZPZDMNBFCBI-UHFFFAOYSA-N
XLogP-0.72
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 174024110
CID 174024110
2-(2-sulfanylethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 12944370
5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione
CID 23273964
2-(1,3-dihydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 163300388
2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide
CID 12944374
but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 145379100
6-[4-[(3,5-diethylphenyl)methyl]-2,6-diethylphenyl]-2-[4-[[3,5-diethyl-4-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)phenyl]methyl]-2,6-diethylphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 164810553
2-(2,3-dihydroxypropyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 12944365
2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 11054801
(2-octylsulfonyloxy-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl) octane-1-sulfonate
CID 87734821
2-(2-phenylethenyl)-3-propoxyquinazolin-4-one
CID 58776627
5-propan-2-yl-1-propoxypyrimidine-2,4-dione
CID 10751022

Frequently Asked Questions

What is the IUPAC name of 2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 170189407) is 2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CCCOn1c(=O)c2cc3c(=O)[nH]c(=O)c3cc2c1=O.
What is the InChIKey of 2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is DWRZPZDMNBFCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-2-3-20-15-12(18)8-4-6-7(5-9(8)13(15)19)11(17)14-10(6)16/h4-5H,2-3H2,1H3,(H,14,16,17).
What are the key properties of 2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 274.23 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 170189407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).