N-ethyl-N-formylformamide

C4H7NO2 — CID 12540907

IUPACN-ethyl-N-formylformamide
SMILESCCN(C=O)C=O
InChIInChI=1S/C4H7NO2/c1-2-5(3-6)4-7/h3-4H,2H2,1H3
InChIKeyQMQCJOQJBNTRNZ-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.38
Rot. Bonds3

About N-ethyl-N-formylformamide

N-ethyl-N-formylformamide (PubChem CID 12540907) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is N-ethyl-N-formylformamide.

Molecular Properties

Compound NameN-ethyl-N-formylformamide
PubChem CID12540907
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC NameN-ethyl-N-formylformamide
SMILESCCN(C=O)C=O
InChIInChI=1S/C4H7NO2/c1-2-5(3-6)4-7/h3-4H,2H2,1H3
InChIKeyQMQCJOQJBNTRNZ-UHFFFAOYSA-N
XLogP-0.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-N-formylformamide?
The IUPAC name of N-ethyl-N-formylformamide (CID 12540907) is N-ethyl-N-formylformamide.
What is the SMILES notation for N-ethyl-N-formylformamide?
The canonical SMILES for N-ethyl-N-formylformamide is CCN(C=O)C=O.
What is the InChIKey of N-ethyl-N-formylformamide?
The InChIKey is QMQCJOQJBNTRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-2-5(3-6)4-7/h3-4H,2H2,1H3.
What are the key properties of N-ethyl-N-formylformamide?
N-ethyl-N-formylformamide has a molecular weight of 101.10 g/mol, XLogP of -0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-formylformamide is sourced from PubChem (CID 12540907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).