N-hydroxy-2-methylpropanamide

C4H9NO2 — CID 12735404

IUPACN-hydroxy-2-methylpropanamide
SMILESCC(C)C(=O)NO
InChIInChI=1S/C4H9NO2/c1-3(2)4(6)5-7/h3,7H,1-2H3,(H,5,6)
InChIKeyWLZCAHBBQPTPRQ-UHFFFAOYSA-N
MW103.12 g/mol
LogP0.15
Rot. Bonds1

About N-hydroxy-2-methylpropanamide

N-hydroxy-2-methylpropanamide (PubChem CID 12735404) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-methylpropanamide
PubChem CID12735404
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC NameN-hydroxy-2-methylpropanamide
SMILESCC(C)C(=O)NO
InChIInChI=1S/C4H9NO2/c1-3(2)4(6)5-7/h3,7H,1-2H3,(H,5,6)
InChIKeyWLZCAHBBQPTPRQ-UHFFFAOYSA-N
XLogP0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-Hydroxypropanamide
CID 75743
N-hydroxybutanamide
CID 419176
N-hydroxy-2,2-dimethylpropanamide
CID 303148
N-hydroxy-2-methylbutanamide
CID 22074094
N-hydroxy-3-methylbutanamide
CID 13258739
N-Methoxypropanamide
CID 19010321
3,3,3-trifluoro-N-hydroxy-2-methylpropanamide
CID 22287384
2-fluoro-N-hydroxy-2-methylpropanamide
CID 123296059
N-(2-fluoroethoxy)-2-methylpropanamide
CID 176646726
N-methoxy-2-methylbutanamide
CID 15518760
Dimethylacetamidohydroperoxide
CID 129811680
2-fluoro-N-hydroxy-3-methylbutanamide
CID 130677521

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methylpropanamide?
The IUPAC name of N-hydroxy-2-methylpropanamide (CID 12735404) is N-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-hydroxy-2-methylpropanamide?
The canonical SMILES for N-hydroxy-2-methylpropanamide is CC(C)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methylpropanamide?
The InChIKey is WLZCAHBBQPTPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-3(2)4(6)5-7/h3,7H,1-2H3,(H,5,6).
What are the key properties of N-hydroxy-2-methylpropanamide?
N-hydroxy-2-methylpropanamide has a molecular weight of 103.12 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 12735404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).