N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide

C8H15NO3 — CID 65155679

IUPACN-hydroxy-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NO)C1C
InChIInChI=1S/C8H15NO3/c1-4-5(2)12-6(3)7(4)8(10)9-11/h4-7,11H,1-3H3,(H,9,10)
InChIKeyFIJNMDRIAVHVHL-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.55
Rot. Bonds1

About N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide

N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65155679) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65155679
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-hydroxy-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NO)C1C
InChIInChI=1S/C8H15NO3/c1-4-5(2)12-6(3)7(4)8(10)9-11/h4-7,11H,1-3H3,(H,9,10)
InChIKeyFIJNMDRIAVHVHL-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.55
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-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide (CID 65155679) is N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NO)C1C.
What is the InChIKey of N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is FIJNMDRIAVHVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-5(2)12-6(3)7(4)8(10)9-11/h4-7,11H,1-3H3,(H,9,10).
What are the key properties of N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide?
N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 173.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65155679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).