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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Related Compounds

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide
CID 128592567
N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide
CID 146128556
N-[2-(1,2-dihydroxyethyl)-4-pyridinyl]-5,5-dimethyloxolane-2-carboxamide
CID 166161611
methyl (2E,6E)-7-[(2R)-5,5-dimethyloxolan-2-yl]-3-methylocta-2,6-dienoate
CID 162922478
(5E,9E)-10-[(2R)-5,5-dimethyloxolan-2-yl]-6-methylundeca-5,9-dien-2-one
CID 162882478
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
5,5-dimethyloxolan-2-ol;ethane
CID 142894626
1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone
CID 70555930
CID 89049639
CID 89049639
1-(5,5-dimethyloxolan-2-yl)pentan-3-one
CID 116522536
2-oxoethenyl 6,6-dimethyloxane-2-carboxylate
CID 141014192
1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 116522769

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).