7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid

C9H10N2O4 — CID 175165685

IUPAC7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid
SMILESO=C(O)N1CCOc2ccc(=O)[nH]c2C1
InChIInChI=1S/C9H10N2O4/c12-8-2-1-7-6(10-8)5-11(9(13)14)3-4-15-7/h1-2H,3-5H2,(H,10,12)(H,13,14)
InChIKeyCGZVVVQZKNVYSV-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.25
Rot. Bonds

About 7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid

7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid (PubChem CID 175165685) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid.

Molecular Properties

Compound Name7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid
PubChem CID175165685
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid
SMILESO=C(O)N1CCOc2ccc(=O)[nH]c2C1
InChIInChI=1S/C9H10N2O4/c12-8-2-1-7-6(10-8)5-11(9(13)14)3-4-15-7/h1-2H,3-5H2,(H,10,12)(H,13,14)
InChIKeyCGZVVVQZKNVYSV-UHFFFAOYSA-N
XLogP0.25
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid?
The IUPAC name of 7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid (CID 175165685) is 7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid.
What is the SMILES notation for 7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid?
The canonical SMILES for 7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid is O=C(O)N1CCOc2ccc(=O)[nH]c2C1.
What is the InChIKey of 7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid?
The InChIKey is CGZVVVQZKNVYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8-2-1-7-6(10-8)5-11(9(13)14)3-4-15-7/h1-2H,3-5H2,(H,10,12)(H,13,14).
What are the key properties of 7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid?
7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid is sourced from PubChem (CID 175165685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).