ethenyl(methyl)cyanamide

C4H6N2 — CID 173484603

IUPACethenyl(methyl)cyanamide
SMILESC=CN(C)C#N
InChIInChI=1S/C4H6N2/c1-3-6(2)4-5/h3H,1H2,2H3
InChIKeyCRRUMUXLAPJYIT-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.54
Rot. Bonds1

About ethenyl(methyl)cyanamide

ethenyl(methyl)cyanamide (PubChem CID 173484603) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is ethenyl(methyl)cyanamide.

Molecular Properties

Compound Nameethenyl(methyl)cyanamide
PubChem CID173484603
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Nameethenyl(methyl)cyanamide
SMILESC=CN(C)C#N
InChIInChI=1S/C4H6N2/c1-3-6(2)4-5/h3H,1H2,2H3
InChIKeyCRRUMUXLAPJYIT-UHFFFAOYSA-N
XLogP0.54
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethenyl(methyl)cyanamide?
The IUPAC name of ethenyl(methyl)cyanamide (CID 173484603) is ethenyl(methyl)cyanamide.
What is the SMILES notation for ethenyl(methyl)cyanamide?
The canonical SMILES for ethenyl(methyl)cyanamide is C=CN(C)C#N.
What is the InChIKey of ethenyl(methyl)cyanamide?
The InChIKey is CRRUMUXLAPJYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c1-3-6(2)4-5/h3H,1H2,2H3.
What are the key properties of ethenyl(methyl)cyanamide?
ethenyl(methyl)cyanamide has a molecular weight of 82.11 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(methyl)cyanamide is sourced from PubChem (CID 173484603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).