2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C13H10N2O4 — CID 12944395

IUPAC2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O
InChIInChI=1S/C13H10N2O4/c1-3-15-12(18)8-4-6-7(5-9(8)13(15)19)11(17)14(2)10(6)16/h4-5H,3H2,1-2H3
InChIKeyKHLBODFQQHADHO-UHFFFAOYSA-N
MW258.23 g/mol
LogP-0.53
Rot. Bonds1

About 2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 12944395) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID12944395
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O
InChIInChI=1S/C13H10N2O4/c1-3-15-12(18)8-4-6-7(5-9(8)13(15)19)11(17)14(2)10(6)16/h4-5H,3H2,1-2H3
InChIKeyKHLBODFQQHADHO-UHFFFAOYSA-N
XLogP-0.53
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 12944395) is 2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CCn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O.
What is the InChIKey of 2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is KHLBODFQQHADHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-3-15-12(18)8-4-6-7(5-9(8)13(15)19)11(17)14(2)10(6)16/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 258.23 g/mol, XLogP of -0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 12944395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).