3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid

C10H10N2O4 — CID 82377367

IUPAC3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)OC(C1CC1)C(=O)N2
InChIInChI=1S/C10H10N2O4/c13-8-7(4-1-2-4)16-9-5(11-8)3-6(12-9)10(14)15/h3-4,7,12H,1-2H2,(H,11,13)(H,14,15)
InChIKeyCNHPSHKNAAVXLN-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.82
Rot. Bonds2

About 3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid

3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid (PubChem CID 82377367) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
PubChem CID82377367
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)OC(C1CC1)C(=O)N2
InChIInChI=1S/C10H10N2O4/c13-8-7(4-1-2-4)16-9-5(11-8)3-6(12-9)10(14)15/h3-4,7,12H,1-2H2,(H,11,13)(H,14,15)
InChIKeyCNHPSHKNAAVXLN-UHFFFAOYSA-N
XLogP0.82
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methylamino)cyclohexyl]-4H-1,4-benzoxazin-3-one
CID 116990876
1-acetyl-3-cyclopropyl-3,5-dihydro-2H-pyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
CID 82377501
2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid
CID 82377383
5-[4-[[(3R)-3-cyclopropyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl]methyl]piperazin-1-yl]-N-methylpyrimidine-2-carboxamide
CID 170225719
6-bromo-2-(4-hydroxycyclohexyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990798
3-[(dimethylamino)methyl]-1-methyl-3,5-dihydro-2H-pyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
CID 82377464
6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 70289111
ethane;4-oxo-1H-pyridine-2,6-dicarboxylic acid
CID 143267178
methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid
CID 139061373
(1S,7R)-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene-4-carboxylic acid
CID 67159516
2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid
CID 57367173
spiro[2,5-dihydro-1H-pyrrolo[2,3-b][1,4]thiazine-3,1'-cyclopropane]-6-carboxylic acid
CID 82377526

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid?
The IUPAC name of 3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid (CID 82377367) is 3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid is O=C(O)c1cc2c([nH]1)OC(C1CC1)C(=O)N2.
What is the InChIKey of 3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid?
The InChIKey is CNHPSHKNAAVXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-8-7(4-1-2-4)16-9-5(11-8)3-6(12-9)10(14)15/h3-4,7,12H,1-2H2,(H,11,13)(H,14,15).
What are the key properties of 3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid?
3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid is sourced from PubChem (CID 82377367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).