N-cyano-2-(cyclopropylamino)acetamide

C6H9N3O — CID 79194545

IUPACN-cyano-2-(cyclopropylamino)acetamide
SMILESN#CNC(=O)CNC1CC1
InChIInChI=1S/C6H9N3O/c7-4-9-6(10)3-8-5-1-2-5/h5,8H,1-3H2,(H,9,10)
InChIKeyHYFZLUOAJKGATL-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.66
Rot. Bonds3

About N-cyano-2-(cyclopropylamino)acetamide

N-cyano-2-(cyclopropylamino)acetamide (PubChem CID 79194545) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-cyano-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-cyano-2-(cyclopropylamino)acetamide
PubChem CID79194545
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-cyano-2-(cyclopropylamino)acetamide
SMILESN#CNC(=O)CNC1CC1
InChIInChI=1S/C6H9N3O/c7-4-9-6(10)3-8-5-1-2-5/h5,8H,1-3H2,(H,9,10)
InChIKeyHYFZLUOAJKGATL-UHFFFAOYSA-N
XLogP-0.66
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-2-(cyclopropylamino)acetamide?
The IUPAC name of N-cyano-2-(cyclopropylamino)acetamide (CID 79194545) is N-cyano-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-cyano-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-cyano-2-(cyclopropylamino)acetamide is N#CNC(=O)CNC1CC1.
What is the InChIKey of N-cyano-2-(cyclopropylamino)acetamide?
The InChIKey is HYFZLUOAJKGATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-4-9-6(10)3-8-5-1-2-5/h5,8H,1-3H2,(H,9,10).
What are the key properties of N-cyano-2-(cyclopropylamino)acetamide?
N-cyano-2-(cyclopropylamino)acetamide has a molecular weight of 139.16 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 79194545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).