1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid

C11H10N2O4 — CID 22752339

IUPAC1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N1C(=O)NCC1CO2
InChIInChI=1S/C11H10N2O4/c14-10(15)6-1-2-9-8(3-6)13-7(5-17-9)4-12-11(13)16/h1-3,7H,4-5H2,(H,12,16)(H,14,15)
InChIKeyCIVVZGKCGIACQQ-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.68
Rot. Bonds1

About 1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid

1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid (PubChem CID 22752339) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid.

Molecular Properties

Compound Name1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid
PubChem CID22752339
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N1C(=O)NCC1CO2
InChIInChI=1S/C11H10N2O4/c14-10(15)6-1-2-9-8(3-6)13-7(5-17-9)4-12-11(13)16/h1-3,7H,4-5H2,(H,12,16)(H,14,15)
InChIKeyCIVVZGKCGIACQQ-UHFFFAOYSA-N
XLogP0.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid?
The IUPAC name of 1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid (CID 22752339) is 1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid.
What is the SMILES notation for 1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid?
The canonical SMILES for 1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid is O=C(O)c1ccc2c(c1)N1C(=O)NCC1CO2.
What is the InChIKey of 1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid?
The InChIKey is CIVVZGKCGIACQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-10(15)6-1-2-9-8(3-6)13-7(5-17-9)4-12-11(13)16/h1-3,7H,4-5H2,(H,12,16)(H,14,15).
What are the key properties of 1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid?
1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2,3,3a,4-tetrahydroimidazo[5,1-c][1,4]benzoxazine-8-carboxylic acid is sourced from PubChem (CID 22752339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).