2-formyliminopropanamide

C4H6N2O2 — CID 141006199

IUPAC2-formyliminopropanamide
SMILESC/C(=N\C=O)C(N)=O
InChIInChI=1S/C4H6N2O2/c1-3(4(5)8)6-2-7/h2H,1H3,(H2,5,8)/b6-3+
InChIKeySROISDXUTRJCQI-ZZXKWVIFSA-N
MW114.10 g/mol
LogP-0.91
Rot. Bonds2

About 2-formyliminopropanamide

2-formyliminopropanamide (PubChem CID 141006199) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2-formyliminopropanamide.

Molecular Properties

Compound Name2-formyliminopropanamide
PubChem CID141006199
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name2-formyliminopropanamide
SMILESC/C(=N\C=O)C(N)=O
InChIInChI=1S/C4H6N2O2/c1-3(4(5)8)6-2-7/h2H,1H3,(H2,5,8)/b6-3+
InChIKeySROISDXUTRJCQI-ZZXKWVIFSA-N
XLogP-0.91
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-formylimino-N-hydroxypropanamide
CID 20651858
2-Methyliminopropanamide
CID 55289375
2-Propyliminopropanamide
CID 55289564

Frequently Asked Questions

What is the IUPAC name of 2-formyliminopropanamide?
The IUPAC name of 2-formyliminopropanamide (CID 141006199) is 2-formyliminopropanamide.
What is the SMILES notation for 2-formyliminopropanamide?
The canonical SMILES for 2-formyliminopropanamide is C/C(=N\C=O)C(N)=O.
What is the InChIKey of 2-formyliminopropanamide?
The InChIKey is SROISDXUTRJCQI-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-3(4(5)8)6-2-7/h2H,1H3,(H2,5,8)/b6-3+.
What are the key properties of 2-formyliminopropanamide?
2-formyliminopropanamide has a molecular weight of 114.10 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyliminopropanamide is sourced from PubChem (CID 141006199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).