N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

C12H15N3O3 — CID 123239591

IUPACN-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESO=C(NO)c1cc(=O)n2c(n1)C1CCC(CC1)C2
InChIInChI=1S/C12H15N3O3/c16-10-5-9(12(17)14-18)13-11-8-3-1-7(2-4-8)6-15(10)11/h5,7-8,18H,1-4,6H2,(H,14,17)
InChIKeyVLKJDSSGVKZCBP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.65
Rot. Bonds1

About N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide

N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (PubChem CID 123239591) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
PubChem CID123239591
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
SMILESO=C(NO)c1cc(=O)n2c(n1)C1CCC(CC1)C2
InChIInChI=1S/C12H15N3O3/c16-10-5-9(12(17)14-18)13-11-8-3-1-7(2-4-8)6-15(10)11/h5,7-8,18H,1-4,6H2,(H,14,17)
InChIKeyVLKJDSSGVKZCBP-UHFFFAOYSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

3,7-Diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
CID 91418917
6-Oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide
CID 123458120

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The IUPAC name of N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide (CID 123239591) is N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide.
What is the SMILES notation for N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The canonical SMILES for N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is O=C(NO)c1cc(=O)n2c(n1)C1CCC(CC1)C2.
What is the InChIKey of N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
The InChIKey is VLKJDSSGVKZCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-10-5-9(12(17)14-18)13-11-8-3-1-7(2-4-8)6-15(10)11/h5,7-8,18H,1-4,6H2,(H,14,17).
What are the key properties of N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide?
N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxamide is sourced from PubChem (CID 123239591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).