N-formyl-N-hydroxypropanamide

C4H7NO3 — CID 88931883

IUPACN-formyl-N-hydroxypropanamide
SMILESCCC(=O)N(O)C=O
InChIInChI=1S/C4H7NO3/c1-2-4(7)5(8)3-6/h3,8H,2H2,1H3
InChIKeyHLHZWMYXUAVTBY-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.23
Rot. Bonds2

About N-formyl-N-hydroxypropanamide

N-formyl-N-hydroxypropanamide (PubChem CID 88931883) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is N-formyl-N-hydroxypropanamide.

Molecular Properties

Compound NameN-formyl-N-hydroxypropanamide
PubChem CID88931883
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC NameN-formyl-N-hydroxypropanamide
SMILESCCC(=O)N(O)C=O
InChIInChI=1S/C4H7NO3/c1-2-4(7)5(8)3-6/h3,8H,2H2,1H3
InChIKeyHLHZWMYXUAVTBY-UHFFFAOYSA-N
XLogP-0.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diformamidopropanamide
CID 137460075
N,N-dimethylformamide;ethanol;methanol;propan-2-one
CID 172828368
N,N-dichloropropanamide;ethane-1,2-diol
CID 87435163
acetic acid;N,N-dimethylformamide;ethanol
CID 88751459
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
N-methyl-N-(1-oxopropan-2-yl)propanamide
CID 19757607
N-but-1-en-2-yl-N-methylpropanamide
CID 59841328
N-methylsulfanyl-N-propanoylpropanamide
CID 174372922
N-bromo-N-methylpropanamide
CID 123781354
ethane;N-(2-hydroxyethyl)-N-methylpropanamide
CID 143051262
N-(ethoxymethyl)-N-hydroxypropanamide
CID 126575746
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-hydroxypropanamide?
The IUPAC name of N-formyl-N-hydroxypropanamide (CID 88931883) is N-formyl-N-hydroxypropanamide.
What is the SMILES notation for N-formyl-N-hydroxypropanamide?
The canonical SMILES for N-formyl-N-hydroxypropanamide is CCC(=O)N(O)C=O.
What is the InChIKey of N-formyl-N-hydroxypropanamide?
The InChIKey is HLHZWMYXUAVTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-2-4(7)5(8)3-6/h3,8H,2H2,1H3.
What are the key properties of N-formyl-N-hydroxypropanamide?
N-formyl-N-hydroxypropanamide has a molecular weight of 117.10 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-hydroxypropanamide is sourced from PubChem (CID 88931883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).