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

C10H12N2O4 — CID 82377399

IUPAC3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESCC(C)C1Oc2c(c[nH]c2C(=O)O)NC1=O
InChIInChI=1S/C10H12N2O4/c1-4(2)7-9(13)12-5-3-11-6(10(14)15)8(5)16-7/h3-4,7,11H,1-2H3,(H,12,13)(H,14,15)
InChIKeyDHOPLBVBIRUVDY-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.07
Rot. Bonds2

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

3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid (PubChem CID 82377399) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
PubChem CID82377399
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESCC(C)C1Oc2c(c[nH]c2C(=O)O)NC1=O
InChIInChI=1S/C10H12N2O4/c1-4(2)7-9(13)12-5-3-11-6(10(14)15)8(5)16-7/h3-4,7,11H,1-2H3,(H,12,13)(H,14,15)
InChIKeyDHOPLBVBIRUVDY-UHFFFAOYSA-N
XLogP1.07
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The IUPAC name of 3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid (CID 82377399) is 3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid.
What is the SMILES notation for 3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The canonical SMILES for 3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid is CC(C)C1Oc2c(c[nH]c2C(=O)O)NC1=O.
What is the InChIKey of 3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The InChIKey is DHOPLBVBIRUVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-4(2)7-9(13)12-5-3-11-6(10(14)15)8(5)16-7/h3-4,7,11H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-propan-2-yl-4,6-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid is sourced from PubChem (CID 82377399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).