N-hydroxy-2-methylbut-2-enamide

C5H9NO2 — CID 57147771

IUPACN-hydroxy-2-methylbut-2-enamide
SMILESCC=C(C)C(=O)NO
InChIInChI=1S/C5H9NO2/c1-3-4(2)5(7)6-8/h3,8H,1-2H3,(H,6,7)
InChIKeyQDLZPTGXVDMZEH-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.46
Rot. Bonds1

About N-hydroxy-2-methylbut-2-enamide

N-hydroxy-2-methylbut-2-enamide (PubChem CID 57147771) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-hydroxy-2-methylbut-2-enamide.

Molecular Properties

Compound NameN-hydroxy-2-methylbut-2-enamide
PubChem CID57147771
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-hydroxy-2-methylbut-2-enamide
SMILESCC=C(C)C(=O)NO
InChIInChI=1S/C5H9NO2/c1-3-4(2)5(7)6-8/h3,8H,1-2H3,(H,6,7)
InChIKeyQDLZPTGXVDMZEH-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-methylbut-2-enamide
CID 6367959
Methylmethacrylamide
CID 315394
Angelic acid amide
CID 5784553
N-Hydroxy-2-methylprop-2-enamide
CID 179668
2-Butenohydroxyamic acid
CID 12551466
Citraconamide
CID 643944
2-Methyl-2-butenediamide
CID 239164
N-methoxy-2-methylprop-2-enamide
CID 11366971
2-Butenediamide, 2-methyl-, (E)-
CID 643148
N-hydroxy-3-methylbut-2-enamide
CID 11083867
(E)-N-ethoxy-2-methylbut-2-enamide
CID 18785213
2-methyl-N-propoxyprop-2-enamide
CID 20537277

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methylbut-2-enamide?
The IUPAC name of N-hydroxy-2-methylbut-2-enamide (CID 57147771) is N-hydroxy-2-methylbut-2-enamide.
What is the SMILES notation for N-hydroxy-2-methylbut-2-enamide?
The canonical SMILES for N-hydroxy-2-methylbut-2-enamide is CC=C(C)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methylbut-2-enamide?
The InChIKey is QDLZPTGXVDMZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4(2)5(7)6-8/h3,8H,1-2H3,(H,6,7).
What are the key properties of N-hydroxy-2-methylbut-2-enamide?
N-hydroxy-2-methylbut-2-enamide has a molecular weight of 115.13 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methylbut-2-enamide is sourced from PubChem (CID 57147771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).