N-ethyl-N-formylacetamide

C5H9NO2 — CID 12885790

IUPACN-ethyl-N-formylacetamide
SMILESCCN(C=O)C(C)=O
InChIInChI=1S/C5H9NO2/c1-3-6(4-7)5(2)8/h4H,3H2,1-2H3
InChIKeyJIRXYFXTDNOIQO-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.01
Rot. Bonds2

About N-ethyl-N-formylacetamide

N-ethyl-N-formylacetamide (PubChem CID 12885790) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-ethyl-N-formylacetamide.

Molecular Properties

Compound NameN-ethyl-N-formylacetamide
PubChem CID12885790
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-ethyl-N-formylacetamide
SMILESCCN(C=O)C(C)=O
InChIInChI=1S/C5H9NO2/c1-3-6(4-7)5(2)8/h4H,3H2,1-2H3
InChIKeyJIRXYFXTDNOIQO-UHFFFAOYSA-N
XLogP0.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylacetamide
CID 12703
N-Methyldiacetamide
CID 14214
N-Ethyl-N-methylacetamide
CID 13390905
N-Acetyl-N-ethylacetamide
CID 73808
N-Acetyl-N-propylacetamide
CID 15280
N,N-diformylacetamide
CID 8063338
N-formyl-N-methylacetamide
CID 14417887
N-alpha-methoxyethyl-N-etyl-acetamide
CID 20545711
Acetyl-ethyl-dimethylazanium
CID 53998828
N,N-diethyl-2-oxoacetamide
CID 54060761
N-ethyl-N-(methoxymethyl)acetamide
CID 134976090
N-(4-fluorobutyl)-N-formylacetamide
CID 149204598

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-formylacetamide?
The IUPAC name of N-ethyl-N-formylacetamide (CID 12885790) is N-ethyl-N-formylacetamide.
What is the SMILES notation for N-ethyl-N-formylacetamide?
The canonical SMILES for N-ethyl-N-formylacetamide is CCN(C=O)C(C)=O.
What is the InChIKey of N-ethyl-N-formylacetamide?
The InChIKey is JIRXYFXTDNOIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-6(4-7)5(2)8/h4H,3H2,1-2H3.
What are the key properties of N-ethyl-N-formylacetamide?
N-ethyl-N-formylacetamide has a molecular weight of 115.13 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-formylacetamide is sourced from PubChem (CID 12885790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).