1-aminoethenylcyanamide

C3H5N3 — CID 131531225

IUPAC1-aminoethenylcyanamide
SMILESC=C(N)NC#N
InChIInChI=1S/C3H5N3/c1-3(5)6-2-4/h6H,1,5H2
InChIKeyBKEVGXRDJXNKRJ-UHFFFAOYSA-N
MW83.09 g/mol
LogP-0.51
Rot. Bonds1

About 1-aminoethenylcyanamide

1-aminoethenylcyanamide (PubChem CID 131531225) has the molecular formula C3H5N3 and a molecular weight of 83.09 g/mol. Its IUPAC name is 1-aminoethenylcyanamide.

Molecular Properties

Compound Name1-aminoethenylcyanamide
PubChem CID131531225
Molecular FormulaC3H5N3
Molecular Weight83.09 g/mol
Exact Mass83.05
IUPAC Name1-aminoethenylcyanamide
SMILESC=C(N)NC#N
InChIInChI=1S/C3H5N3/c1-3(5)6-2-4/h6H,1,5H2
InChIKeyBKEVGXRDJXNKRJ-UHFFFAOYSA-N
XLogP-0.51
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 5-0.51
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 1-aminoethenylcyanamide?
The IUPAC name of 1-aminoethenylcyanamide (CID 131531225) is 1-aminoethenylcyanamide.
What is the SMILES notation for 1-aminoethenylcyanamide?
The canonical SMILES for 1-aminoethenylcyanamide is C=C(N)NC#N.
What is the InChIKey of 1-aminoethenylcyanamide?
The InChIKey is BKEVGXRDJXNKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3/c1-3(5)6-2-4/h6H,1,5H2.
What are the key properties of 1-aminoethenylcyanamide?
1-aminoethenylcyanamide has a molecular weight of 83.09 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethenylcyanamide is sourced from PubChem (CID 131531225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).