N-acetyl-N-formylacetamide

C5H7NO3 — CID 14417886

IUPACN-acetyl-N-formylacetamide
SMILESCC(=O)N(C=O)C(C)=O
InChIInChI=1S/C5H7NO3/c1-4(8)6(3-7)5(2)9/h3H,1-2H3
InChIKeyDJYLDDBHXJZUAE-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.46
Rot. Bonds1

About N-acetyl-N-formylacetamide

N-acetyl-N-formylacetamide (PubChem CID 14417886) has the molecular formula C5H7NO3 and a molecular weight of 129.12 g/mol. Its IUPAC name is N-acetyl-N-formylacetamide.

Molecular Properties

Compound NameN-acetyl-N-formylacetamide
PubChem CID14417886
Molecular FormulaC5H7NO3
Molecular Weight129.12 g/mol
Exact Mass129.04
IUPAC NameN-acetyl-N-formylacetamide
SMILESCC(=O)N(C=O)C(C)=O
InChIInChI=1S/C5H7NO3/c1-4(8)6(3-7)5(2)9/h3H,1-2H3
InChIKeyDJYLDDBHXJZUAE-UHFFFAOYSA-N
XLogP-0.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-formylacetamide?
The IUPAC name of N-acetyl-N-formylacetamide (CID 14417886) is N-acetyl-N-formylacetamide.
What is the SMILES notation for N-acetyl-N-formylacetamide?
The canonical SMILES for N-acetyl-N-formylacetamide is CC(=O)N(C=O)C(C)=O.
What is the InChIKey of N-acetyl-N-formylacetamide?
The InChIKey is DJYLDDBHXJZUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-4(8)6(3-7)5(2)9/h3H,1-2H3.
What are the key properties of N-acetyl-N-formylacetamide?
N-acetyl-N-formylacetamide has a molecular weight of 129.12 g/mol, XLogP of -0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-formylacetamide is sourced from PubChem (CID 14417886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).