N-hydroxy-2H-pyran-6-carboxamide

C6H7NO3 — CID 22485271

IUPACN-hydroxy-2H-pyran-6-carboxamide
SMILESO=C(NO)C1=CC=CCO1
InChIInChI=1S/C6H7NO3/c8-6(7-9)5-3-1-2-4-10-5/h1-3,9H,4H2,(H,7,8)
InChIKeyDTHWFQNBZYZSIA-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.04
Rot. Bonds1

About N-hydroxy-2H-pyran-6-carboxamide

N-hydroxy-2H-pyran-6-carboxamide (PubChem CID 22485271) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is N-hydroxy-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2H-pyran-6-carboxamide
PubChem CID22485271
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC NameN-hydroxy-2H-pyran-6-carboxamide
SMILESO=C(NO)C1=CC=CCO1
InChIInChI=1S/C6H7NO3/c8-6(7-9)5-3-1-2-4-10-5/h1-3,9H,4H2,(H,7,8)
InChIKeyDTHWFQNBZYZSIA-UHFFFAOYSA-N
XLogP-0.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
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-pyran-6-carboxamide?
The IUPAC name of N-hydroxy-2H-pyran-6-carboxamide (CID 22485271) is N-hydroxy-2H-pyran-6-carboxamide.
What is the SMILES notation for N-hydroxy-2H-pyran-6-carboxamide?
The canonical SMILES for N-hydroxy-2H-pyran-6-carboxamide is O=C(NO)C1=CC=CCO1.
What is the InChIKey of N-hydroxy-2H-pyran-6-carboxamide?
The InChIKey is DTHWFQNBZYZSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-6(7-9)5-3-1-2-4-10-5/h1-3,9H,4H2,(H,7,8).
What are the key properties of N-hydroxy-2H-pyran-6-carboxamide?
N-hydroxy-2H-pyran-6-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2H-pyran-6-carboxamide is sourced from PubChem (CID 22485271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).