N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide

C11H10N2O3 — CID 141000178

IUPACN-hydroxy-2H-1,2-benzoxazocine-7-carboxamide
SMILESO=C(NO)c1cccc2o[nH]ccccc12
InChIInChI=1S/C11H10N2O3/c14-11(13-15)9-5-3-6-10-8(9)4-1-2-7-12-16-10/h1-7,12,15H,(H,13,14)/b4-1-,7-2-
InChIKeyCXALYIONLJUQBV-KBAHTBMXSA-N
MW218.21 g/mol
LogP2.00
Rot. Bonds1

About N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide

N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide (PubChem CID 141000178) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2H-1,2-benzoxazocine-7-carboxamide
PubChem CID141000178
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC NameN-hydroxy-2H-1,2-benzoxazocine-7-carboxamide
SMILESO=C(NO)c1cccc2o[nH]ccccc12
InChIInChI=1S/C11H10N2O3/c14-11(13-15)9-5-3-6-10-8(9)4-1-2-7-12-16-10/h1-7,12,15H,(H,13,14)/b4-1-,7-2-
InChIKeyCXALYIONLJUQBV-KBAHTBMXSA-N
XLogP2.00
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2H-1,2-benzoxazocine-7-carboxamide?
The IUPAC name of N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide (CID 141000178) is N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide.
What is the SMILES notation for N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide?
The canonical SMILES for N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide is O=C(NO)c1cccc2o[nH]ccccc12.
What is the InChIKey of N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide?
The InChIKey is CXALYIONLJUQBV-KBAHTBMXSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-11(13-15)9-5-3-6-10-8(9)4-1-2-7-12-16-10/h1-7,12,15H,(H,13,14)/b4-1-,7-2-.
What are the key properties of N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide?
N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2H-1,2-benzoxazocine-7-carboxamide is sourced from PubChem (CID 141000178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).