N-hydroxyoxane-4-carboxamide

C6H11NO3 — CID 22646733

IUPACN-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1CCOCC1
InChIInChI=1S/C6H11NO3/c8-6(7-9)5-1-3-10-4-2-5/h5,9H,1-4H2,(H,7,8)
InChIKeyGNZNSQHATTVGPG-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.08
Rot. Bonds1

About N-hydroxyoxane-4-carboxamide

N-hydroxyoxane-4-carboxamide (PubChem CID 22646733) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxyoxane-4-carboxamide
PubChem CID22646733
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC NameN-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1CCOCC1
InChIInChI=1S/C6H11NO3/c8-6(7-9)5-1-3-10-4-2-5/h5,9H,1-4H2,(H,7,8)
InChIKeyGNZNSQHATTVGPG-UHFFFAOYSA-N
XLogP-0.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.08
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-hydroxyoxane-4-carboxamide?
The IUPAC name of N-hydroxyoxane-4-carboxamide (CID 22646733) is N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for N-hydroxyoxane-4-carboxamide?
The canonical SMILES for N-hydroxyoxane-4-carboxamide is O=C(NO)C1CCOCC1.
What is the InChIKey of N-hydroxyoxane-4-carboxamide?
The InChIKey is GNZNSQHATTVGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-6(7-9)5-1-3-10-4-2-5/h5,9H,1-4H2,(H,7,8).
What are the key properties of N-hydroxyoxane-4-carboxamide?
N-hydroxyoxane-4-carboxamide has a molecular weight of 145.16 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 22646733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).