acetonitrile;nitrous amide

C2H5N3O — CID 19755414

IUPACacetonitrile;nitrous amide
SMILESCC#N.NN=O
InChIInChI=1S/C2H3N.H2N2O/c2*1-2-3/h1H3;(H2,1,3)
InChIKeyGUYZXADYNPYEGO-UHFFFAOYSA-N
MW87.08 g/mol
LogP0.16
Rot. Bonds

About acetonitrile;nitrous amide

acetonitrile;nitrous amide (PubChem CID 19755414) has the molecular formula C2H5N3O and a molecular weight of 87.08 g/mol. Its IUPAC name is acetonitrile;nitrous amide.

Molecular Properties

Compound Nameacetonitrile;nitrous amide
PubChem CID19755414
Molecular FormulaC2H5N3O
Molecular Weight87.08 g/mol
Exact Mass87.04
IUPAC Nameacetonitrile;nitrous amide
SMILESCC#N.NN=O
InChIInChI=1S/C2H3N.H2N2O/c2*1-2-3/h1H3;(H2,1,3)
InChIKeyGUYZXADYNPYEGO-UHFFFAOYSA-N
XLogP0.16
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;nitrous amide?
The IUPAC name of acetonitrile;nitrous amide (CID 19755414) is acetonitrile;nitrous amide.
What is the SMILES notation for acetonitrile;nitrous amide?
The canonical SMILES for acetonitrile;nitrous amide is CC#N.NN=O.
What is the InChIKey of acetonitrile;nitrous amide?
The InChIKey is GUYZXADYNPYEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.H2N2O/c2*1-2-3/h1H3;(H2,1,3).
What are the key properties of acetonitrile;nitrous amide?
acetonitrile;nitrous amide has a molecular weight of 87.08 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;nitrous amide is sourced from PubChem (CID 19755414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).