N-ethenylprop-2-enamide

C5H7NO — CID 11182574

IUPACN-ethenylprop-2-enamide
SMILESC=CNC(=O)C=C
InChIInChI=1S/C5H7NO/c1-3-5(7)6-4-2/h3-4H,1-2H2,(H,6,7)
InChIKeyILCQQHAOOOVHQJ-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.43
Rot. Bonds2

About N-ethenylprop-2-enamide

N-ethenylprop-2-enamide (PubChem CID 11182574) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is N-ethenylprop-2-enamide.

Molecular Properties

Compound NameN-ethenylprop-2-enamide
PubChem CID11182574
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC NameN-ethenylprop-2-enamide
SMILESC=CNC(=O)C=C
InChIInChI=1S/C5H7NO/c1-3-5(7)6-4-2/h3-4H,1-2H2,(H,6,7)
InChIKeyILCQQHAOOOVHQJ-UHFFFAOYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenylprop-2-enamide?
The IUPAC name of N-ethenylprop-2-enamide (CID 11182574) is N-ethenylprop-2-enamide.
What is the SMILES notation for N-ethenylprop-2-enamide?
The canonical SMILES for N-ethenylprop-2-enamide is C=CNC(=O)C=C.
What is the InChIKey of N-ethenylprop-2-enamide?
The InChIKey is ILCQQHAOOOVHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-3-5(7)6-4-2/h3-4H,1-2H2,(H,6,7).
What are the key properties of N-ethenylprop-2-enamide?
N-ethenylprop-2-enamide has a molecular weight of 97.12 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylprop-2-enamide is sourced from PubChem (CID 11182574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).