2,3-dicyanoprop-2-enamide

C5H3N3O — CID 173308718

IUPAC2,3-dicyanoprop-2-enamide
SMILESN#CC=C(C#N)C(N)=O
InChIInChI=1S/C5H3N3O/c6-2-1-4(3-7)5(8)9/h1H,(H2,8,9)
InChIKeyUITBKFJQPHYSPK-UHFFFAOYSA-N
MW121.10 g/mol
LogP-0.55
Rot. Bonds1

About 2,3-dicyanoprop-2-enamide

2,3-dicyanoprop-2-enamide (PubChem CID 173308718) has the molecular formula C5H3N3O and a molecular weight of 121.10 g/mol. Its IUPAC name is 2,3-dicyanoprop-2-enamide.

Molecular Properties

Compound Name2,3-dicyanoprop-2-enamide
PubChem CID173308718
Molecular FormulaC5H3N3O
Molecular Weight121.10 g/mol
Exact Mass121.03
IUPAC Name2,3-dicyanoprop-2-enamide
SMILESN#CC=C(C#N)C(N)=O
InChIInChI=1S/C5H3N3O/c6-2-1-4(3-7)5(8)9/h1H,(H2,8,9)
InChIKeyUITBKFJQPHYSPK-UHFFFAOYSA-N
XLogP-0.55
TPSA90.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dicyanoprop-2-enamide?
The IUPAC name of 2,3-dicyanoprop-2-enamide (CID 173308718) is 2,3-dicyanoprop-2-enamide.
What is the SMILES notation for 2,3-dicyanoprop-2-enamide?
The canonical SMILES for 2,3-dicyanoprop-2-enamide is N#CC=C(C#N)C(N)=O.
What is the InChIKey of 2,3-dicyanoprop-2-enamide?
The InChIKey is UITBKFJQPHYSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O/c6-2-1-4(3-7)5(8)9/h1H,(H2,8,9).
What are the key properties of 2,3-dicyanoprop-2-enamide?
2,3-dicyanoprop-2-enamide has a molecular weight of 121.10 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyanoprop-2-enamide is sourced from PubChem (CID 173308718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).