N-hydroxy-5,5-dimethyloxolane-2-carboxamide

C7H13NO3 — CID 131176914

IUPACN-hydroxy-5,5-dimethyloxolane-2-carboxamide
SMILESCC1(C)CCC(C(=O)NO)O1
InChIInChI=1S/C7H13NO3/c1-7(2)4-3-5(11-7)6(9)8-10/h5,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyPMLMBHUNHINCLM-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.45
Rot. Bonds1

About N-hydroxy-5,5-dimethyloxolane-2-carboxamide

N-hydroxy-5,5-dimethyloxolane-2-carboxamide (PubChem CID 131176914) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-hydroxy-5,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5,5-dimethyloxolane-2-carboxamide
PubChem CID131176914
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-hydroxy-5,5-dimethyloxolane-2-carboxamide
SMILESCC1(C)CCC(C(=O)NO)O1
InChIInChI=1S/C7H13NO3/c1-7(2)4-3-5(11-7)6(9)8-10/h5,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyPMLMBHUNHINCLM-UHFFFAOYSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.45
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-5,5-dimethyloxolane-2-carboxamide?
The IUPAC name of N-hydroxy-5,5-dimethyloxolane-2-carboxamide (CID 131176914) is N-hydroxy-5,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-hydroxy-5,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-hydroxy-5,5-dimethyloxolane-2-carboxamide is CC1(C)CCC(C(=O)NO)O1.
What is the InChIKey of N-hydroxy-5,5-dimethyloxolane-2-carboxamide?
The InChIKey is PMLMBHUNHINCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2)4-3-5(11-7)6(9)8-10/h5,10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-hydroxy-5,5-dimethyloxolane-2-carboxamide?
N-hydroxy-5,5-dimethyloxolane-2-carboxamide has a molecular weight of 159.18 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 131176914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).