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

C11H7N3O4 — CID 130207216

IUPAC2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCn1c(=O)c2cc3c(=O)n(N)c(=O)c3cc2c1=O
InChIInChI=1S/C11H7N3O4/c1-13-8(15)4-2-6-7(3-5(4)9(13)16)11(18)14(12)10(6)17/h2-3H,12H2,1H3
InChIKeyFGGAMRLLBBTSKG-UHFFFAOYSA-N
MW245.19 g/mol
LogP-1.84
Rot. Bonds

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

2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 130207216) has the molecular formula C11H7N3O4 and a molecular weight of 245.19 g/mol. Its IUPAC name is 2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID130207216
Molecular FormulaC11H7N3O4
Molecular Weight245.19 g/mol
Exact Mass245.04
IUPAC Name2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCn1c(=O)c2cc3c(=O)n(N)c(=O)c3cc2c1=O
InChIInChI=1S/C11H7N3O4/c1-13-8(15)4-2-6-7(3-5(4)9(13)16)11(18)14(12)10(6)17/h2-3H,12H2,1H3
InChIKeyFGGAMRLLBBTSKG-UHFFFAOYSA-N
XLogP-1.84
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 5-1.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 130207216) is 2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cn1c(=O)c2cc3c(=O)n(N)c(=O)c3cc2c1=O.
What is the InChIKey of 2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is FGGAMRLLBBTSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4/c1-13-8(15)4-2-6-7(3-5(4)9(13)16)11(18)14(12)10(6)17/h2-3H,12H2,1H3.
What are the key properties of 2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 245.19 g/mol, XLogP of -1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 130207216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).