formonitrile;hydrogen peroxide

CH3NO2 — CID 157458878

IUPACformonitrile;hydrogen peroxide
SMILESC#N.OO
InChIInChI=1S/CHN.H2O2/c2*1-2/h1H;1-2H
InChIKeyBTRMQRSXRZPNIQ-UHFFFAOYSA-N
MW61.04 g/mol
LogP0.16
Rot. Bonds

About formonitrile;hydrogen peroxide

formonitrile;hydrogen peroxide (PubChem CID 157458878) has the molecular formula CH3NO2 and a molecular weight of 61.04 g/mol. Its IUPAC name is formonitrile;hydrogen peroxide.

Molecular Properties

Compound Nameformonitrile;hydrogen peroxide
PubChem CID157458878
Molecular FormulaCH3NO2
Molecular Weight61.04 g/mol
Exact Mass61.02
IUPAC Nameformonitrile;hydrogen peroxide
SMILESC#N.OO
InChIInChI=1S/CHN.H2O2/c2*1-2/h1H;1-2H
InChIKeyBTRMQRSXRZPNIQ-UHFFFAOYSA-N
XLogP0.16
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.04
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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hydrogen peroxide
CID 21255768

Frequently Asked Questions

What is the IUPAC name of formonitrile;hydrogen peroxide?
The IUPAC name of formonitrile;hydrogen peroxide (CID 157458878) is formonitrile;hydrogen peroxide.
What is the SMILES notation for formonitrile;hydrogen peroxide?
The canonical SMILES for formonitrile;hydrogen peroxide is C#N.OO.
What is the InChIKey of formonitrile;hydrogen peroxide?
The InChIKey is BTRMQRSXRZPNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CHN.H2O2/c2*1-2/h1H;1-2H.
What are the key properties of formonitrile;hydrogen peroxide?
formonitrile;hydrogen peroxide has a molecular weight of 61.04 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;hydrogen peroxide is sourced from PubChem (CID 157458878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).