2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid

C11H8N2O5 — CID 82377396

IUPAC2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESO=C(O)c1[nH]cc2c1OC(c1ccco1)C(=O)N2
InChIInChI=1S/C11H8N2O5/c14-10-9(6-2-1-3-17-6)18-8-5(13-10)4-12-7(8)11(15)16/h1-4,9,12H,(H,13,14)(H,15,16)
InChIKeyZZXKGAVPMUKYEA-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.38
Rot. Bonds2

About 2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid

2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid (PubChem CID 82377396) has the molecular formula C11H8N2O5 and a molecular weight of 248.19 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
PubChem CID82377396
Molecular FormulaC11H8N2O5
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESO=C(O)c1[nH]cc2c1OC(c1ccco1)C(=O)N2
InChIInChI=1S/C11H8N2O5/c14-10-9(6-2-1-3-17-6)18-8-5(13-10)4-12-7(8)11(15)16/h1-4,9,12H,(H,13,14)(H,15,16)
InChIKeyZZXKGAVPMUKYEA-UHFFFAOYSA-N
XLogP1.38
TPSA104.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid (CID 82377396) is 2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid is O=C(O)c1[nH]cc2c1OC(c1ccco1)C(=O)N2.
What is the InChIKey of 2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The InChIKey is ZZXKGAVPMUKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5/c14-10-9(6-2-1-3-17-6)18-8-5(13-10)4-12-7(8)11(15)16/h1-4,9,12H,(H,13,14)(H,15,16).
What are the key properties of 2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid has a molecular weight of 248.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-oxo-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid is sourced from PubChem (CID 82377396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).