3-formamidoprop-2-enamide

C4H6N2O2 — CID 123229790

IUPAC3-formamidoprop-2-enamide
SMILESNC(=O)C=CNC=O
InChIInChI=1S/C4H6N2O2/c5-4(8)1-2-6-3-7/h1-3H,(H2,5,8)(H,6,7)
InChIKeyXATCDYQJPWHHRC-UHFFFAOYSA-N
MW114.10 g/mol
LogP-1.27
Rot. Bonds3

About 3-formamidoprop-2-enamide

3-formamidoprop-2-enamide (PubChem CID 123229790) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 3-formamidoprop-2-enamide.

Molecular Properties

Compound Name3-formamidoprop-2-enamide
PubChem CID123229790
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name3-formamidoprop-2-enamide
SMILESNC(=O)C=CNC=O
InChIInChI=1S/C4H6N2O2/c5-4(8)1-2-6-3-7/h1-3H,(H2,5,8)(H,6,7)
InChIKeyXATCDYQJPWHHRC-UHFFFAOYSA-N
XLogP-1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formamidoprop-2-enamide?
The IUPAC name of 3-formamidoprop-2-enamide (CID 123229790) is 3-formamidoprop-2-enamide.
What is the SMILES notation for 3-formamidoprop-2-enamide?
The canonical SMILES for 3-formamidoprop-2-enamide is NC(=O)C=CNC=O.
What is the InChIKey of 3-formamidoprop-2-enamide?
The InChIKey is XATCDYQJPWHHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c5-4(8)1-2-6-3-7/h1-3H,(H2,5,8)(H,6,7).
What are the key properties of 3-formamidoprop-2-enamide?
3-formamidoprop-2-enamide has a molecular weight of 114.10 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamidoprop-2-enamide is sourced from PubChem (CID 123229790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).