2-cyano-2-formamidoacetamide

C4H5N3O2 — CID 54113375

IUPAC2-cyano-2-formamidoacetamide
SMILESN#CC(NC=O)C(N)=O
InChIInChI=1S/C4H5N3O2/c5-1-3(4(6)9)7-2-8/h2-3H,(H2,6,9)(H,7,8)
InChIKeyNIQNVQFNDBYQCA-UHFFFAOYSA-N
MW127.10 g/mol
LogP-1.89
Rot. Bonds3

About 2-cyano-2-formamidoacetamide

2-cyano-2-formamidoacetamide (PubChem CID 54113375) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-cyano-2-formamidoacetamide.

Molecular Properties

Compound Name2-cyano-2-formamidoacetamide
PubChem CID54113375
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name2-cyano-2-formamidoacetamide
SMILESN#CC(NC=O)C(N)=O
InChIInChI=1S/C4H5N3O2/c5-1-3(4(6)9)7-2-8/h2-3H,(H2,6,9)(H,7,8)
InChIKeyNIQNVQFNDBYQCA-UHFFFAOYSA-N
XLogP-1.89
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-formamidoacetamide?
The IUPAC name of 2-cyano-2-formamidoacetamide (CID 54113375) is 2-cyano-2-formamidoacetamide.
What is the SMILES notation for 2-cyano-2-formamidoacetamide?
The canonical SMILES for 2-cyano-2-formamidoacetamide is N#CC(NC=O)C(N)=O.
What is the InChIKey of 2-cyano-2-formamidoacetamide?
The InChIKey is NIQNVQFNDBYQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-1-3(4(6)9)7-2-8/h2-3H,(H2,6,9)(H,7,8).
What are the key properties of 2-cyano-2-formamidoacetamide?
2-cyano-2-formamidoacetamide has a molecular weight of 127.10 g/mol, XLogP of -1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-formamidoacetamide is sourced from PubChem (CID 54113375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).