N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide

C11H11N3O4 — CID 87816929

IUPACN-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESO=C(NO)c1cc(=O)n2c(n1)C1(CCC1)OC=C2
InChIInChI=1S/C11H11N3O4/c15-8-6-7(9(16)13-17)12-10-11(2-1-3-11)18-5-4-14(8)10/h4-6,17H,1-3H2,(H,13,16)
InChIKeyPGIFXZGZCPUKGS-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.20
Rot. Bonds1

About N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide

N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (PubChem CID 87816929) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
PubChem CID87816929
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESO=C(NO)c1cc(=O)n2c(n1)C1(CCC1)OC=C2
InChIInChI=1S/C11H11N3O4/c15-8-6-7(9(16)13-17)12-10-11(2-1-3-11)18-5-4-14(8)10/h4-6,17H,1-3H2,(H,13,16)
InChIKeyPGIFXZGZCPUKGS-UHFFFAOYSA-N
XLogP0.20
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The IUPAC name of N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (CID 87816929) is N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.
What is the SMILES notation for N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The canonical SMILES for N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is O=C(NO)c1cc(=O)n2c(n1)C1(CCC1)OC=C2.
What is the InChIKey of N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The InChIKey is PGIFXZGZCPUKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-8-6-7(9(16)13-17)12-10-11(2-1-3-11)18-5-4-14(8)10/h4-6,17H,1-3H2,(H,13,16).
What are the key properties of N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide has a molecular weight of 249.23 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is sourced from PubChem (CID 87816929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).