N-cyano-2-(methylamino)propanamide

C5H9N3O — CID 79203267

IUPACN-cyano-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC#N
InChIInChI=1S/C5H9N3O/c1-4(7-2)5(9)8-3-6/h4,7H,1-2H3,(H,8,9)
InChIKeyBURSIBYSCJQBQP-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.81
Rot. Bonds2

About N-cyano-2-(methylamino)propanamide

N-cyano-2-(methylamino)propanamide (PubChem CID 79203267) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N-cyano-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-cyano-2-(methylamino)propanamide
PubChem CID79203267
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN-cyano-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC#N
InChIInChI=1S/C5H9N3O/c1-4(7-2)5(9)8-3-6/h4,7H,1-2H3,(H,8,9)
InChIKeyBURSIBYSCJQBQP-UHFFFAOYSA-N
XLogP-0.81
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.81
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-(methylamino)propanamide?
The IUPAC name of N-cyano-2-(methylamino)propanamide (CID 79203267) is N-cyano-2-(methylamino)propanamide.
What is the SMILES notation for N-cyano-2-(methylamino)propanamide?
The canonical SMILES for N-cyano-2-(methylamino)propanamide is CNC(C)C(=O)NC#N.
What is the InChIKey of N-cyano-2-(methylamino)propanamide?
The InChIKey is BURSIBYSCJQBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(7-2)5(9)8-3-6/h4,7H,1-2H3,(H,8,9).
What are the key properties of N-cyano-2-(methylamino)propanamide?
N-cyano-2-(methylamino)propanamide has a molecular weight of 127.15 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-(methylamino)propanamide is sourced from PubChem (CID 79203267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).