2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide

C12H7N3O5 — CID 12944374

IUPAC2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide
SMILESNC(=O)Cn1c(=O)c2cc3c(=O)[nH]c(=O)c3cc2c1=O
InChIInChI=1S/C12H7N3O5/c13-8(16)3-15-11(19)6-1-4-5(2-7(6)12(15)20)10(18)14-9(4)17/h1-2H,3H2,(H2,13,16)(H,14,17,18)
InChIKeyAXIOGNFTNHWDRF-UHFFFAOYSA-N
MW273.20 g/mol
LogP-2.08
Rot. Bonds2

About 2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide

2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide (PubChem CID 12944374) has the molecular formula C12H7N3O5 and a molecular weight of 273.20 g/mol. Its IUPAC name is 2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide
PubChem CID12944374
Molecular FormulaC12H7N3O5
Molecular Weight273.20 g/mol
Exact Mass273.04
IUPAC Name2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide
SMILESNC(=O)Cn1c(=O)c2cc3c(=O)[nH]c(=O)c3cc2c1=O
InChIInChI=1S/C12H7N3O5/c13-8(16)3-15-11(19)6-1-4-5(2-7(6)12(15)20)10(18)14-9(4)17/h1-2H,3H2,(H2,13,16)(H,14,17,18)
InChIKeyAXIOGNFTNHWDRF-UHFFFAOYSA-N
XLogP-2.08
TPSA132.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide?
The IUPAC name of 2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide (CID 12944374) is 2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide?
The canonical SMILES for 2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide is NC(=O)Cn1c(=O)c2cc3c(=O)[nH]c(=O)c3cc2c1=O.
What is the InChIKey of 2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide?
The InChIKey is AXIOGNFTNHWDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O5/c13-8(16)3-15-11(19)6-1-4-5(2-7(6)12(15)20)10(18)14-9(4)17/h1-2H,3H2,(H2,13,16)(H,14,17,18).
What are the key properties of 2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide?
2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide has a molecular weight of 273.20 g/mol, XLogP of -2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)acetamide is sourced from PubChem (CID 12944374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).