cyanamide;dimethoxymethane

C4H10N2O2 — CID 174354277

IUPACcyanamide;dimethoxymethane
SMILESCOCOC.N#CN
InChIInChI=1S/C3H8O2.CH2N2/c1-4-3-5-2;2-1-3/h3H2,1-2H3;2H2
InChIKeyVZHBEWNOUVULMX-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.34
Rot. Bonds2

About cyanamide;dimethoxymethane

cyanamide;dimethoxymethane (PubChem CID 174354277) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is cyanamide;dimethoxymethane.

Molecular Properties

Compound Namecyanamide;dimethoxymethane
PubChem CID174354277
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Namecyanamide;dimethoxymethane
SMILESCOCOC.N#CN
InChIInChI=1S/C3H8O2.CH2N2/c1-4-3-5-2;2-1-3/h3H2,1-2H3;2H2
InChIKeyVZHBEWNOUVULMX-UHFFFAOYSA-N
XLogP-0.34
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyanamide;dimethoxymethane?
The IUPAC name of cyanamide;dimethoxymethane (CID 174354277) is cyanamide;dimethoxymethane.
What is the SMILES notation for cyanamide;dimethoxymethane?
The canonical SMILES for cyanamide;dimethoxymethane is COCOC.N#CN.
What is the InChIKey of cyanamide;dimethoxymethane?
The InChIKey is VZHBEWNOUVULMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.CH2N2/c1-4-3-5-2;2-1-3/h3H2,1-2H3;2H2.
What are the key properties of cyanamide;dimethoxymethane?
cyanamide;dimethoxymethane has a molecular weight of 118.14 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;dimethoxymethane is sourced from PubChem (CID 174354277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).