N-hydroxybut-3-enamide

C4H7NO2 — CID 11804686

IUPACN-hydroxybut-3-enamide
SMILESC=CCC(=O)NO
InChIInChI=1S/C4H7NO2/c1-2-3-4(6)5-7/h2,7H,1,3H2,(H,5,6)
InChIKeyHXGPOWUFZSUKHY-UHFFFAOYSA-N
MW101.10 g/mol
LogP0.07
Rot. Bonds2

About N-hydroxybut-3-enamide

N-hydroxybut-3-enamide (PubChem CID 11804686) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is N-hydroxybut-3-enamide.

Molecular Properties

Compound NameN-hydroxybut-3-enamide
PubChem CID11804686
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC NameN-hydroxybut-3-enamide
SMILESC=CCC(=O)NO
InChIInChI=1S/C4H7NO2/c1-2-3-4(6)5-7/h2,7H,1,3H2,(H,5,6)
InChIKeyHXGPOWUFZSUKHY-UHFFFAOYSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylbut-3-enamide
CID 13113546
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
nona-1,8-diene-4,6-dione
CID 88861984
N-(prop-2-enylcarbamoyl)but-3-enamide
CID 87949156
N-hexa-1,5-dien-3-ylbut-3-enamide
CID 173296191
3-(but-3-enoylamino)-2,2-dimethylpropanoic acid
CID 115427141
N-(2-aminopropyl)but-3-enamide
CID 63731694
N-(9-hydroxynonyl)but-3-enamide
CID 171841682
N-[5-(but-3-enoylamino)-2-bicyclo[2.2.2]octanyl]but-3-enamide
CID 147464092
N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89108263
N-(5-hydroxypentyl)but-3-enamide
CID 107318491
3-oxohex-5-enoic acid
CID 22076660

Frequently Asked Questions

What is the IUPAC name of N-hydroxybut-3-enamide?
The IUPAC name of N-hydroxybut-3-enamide (CID 11804686) is N-hydroxybut-3-enamide.
What is the SMILES notation for N-hydroxybut-3-enamide?
The canonical SMILES for N-hydroxybut-3-enamide is C=CCC(=O)NO.
What is the InChIKey of N-hydroxybut-3-enamide?
The InChIKey is HXGPOWUFZSUKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-2-3-4(6)5-7/h2,7H,1,3H2,(H,5,6).
What are the key properties of N-hydroxybut-3-enamide?
N-hydroxybut-3-enamide has a molecular weight of 101.10 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxybut-3-enamide is sourced from PubChem (CID 11804686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).