prop-2-enyl nitrate;tin(4+)

C3H5NO3Sn+4 — CID 87395806

IUPACprop-2-enyl nitrate;tin(4+)
SMILESC=CCO[N+](=O)[O-].[Sn+4]
InChIInChI=1S/C3H5NO3.Sn/c1-2-3-7-4(5)6;/h2H,1,3H2;/q;+4
InChIKeyJHPDBHRSUSXIIE-UHFFFAOYSA-N
MW221.79 g/mol
LogP-0.00
Rot. Bonds3

About prop-2-enyl nitrate;tin(4+)

prop-2-enyl nitrate;tin(4+) (PubChem CID 87395806) has the molecular formula C3H5NO3Sn+4 and a molecular weight of 221.79 g/mol. Its IUPAC name is prop-2-enyl nitrate;tin(4+).

Molecular Properties

Compound Nameprop-2-enyl nitrate;tin(4+)
PubChem CID87395806
Molecular FormulaC3H5NO3Sn+4
Molecular Weight221.79 g/mol
Exact Mass222.93
IUPAC Nameprop-2-enyl nitrate;tin(4+)
SMILESC=CCO[N+](=O)[O-].[Sn+4]
InChIInChI=1S/C3H5NO3.Sn/c1-2-3-7-4(5)6;/h2H,1,3H2;/q;+4
InChIKeyJHPDBHRSUSXIIE-UHFFFAOYSA-N
XLogP-0.00
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.79
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 prop-2-enyl nitrate;tin(4+)?
The IUPAC name of prop-2-enyl nitrate;tin(4+) (CID 87395806) is prop-2-enyl nitrate;tin(4+).
What is the SMILES notation for prop-2-enyl nitrate;tin(4+)?
The canonical SMILES for prop-2-enyl nitrate;tin(4+) is C=CCO[N+](=O)[O-].[Sn+4].
What is the InChIKey of prop-2-enyl nitrate;tin(4+)?
The InChIKey is JHPDBHRSUSXIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3.Sn/c1-2-3-7-4(5)6;/h2H,1,3H2;/q;+4.
What are the key properties of prop-2-enyl nitrate;tin(4+)?
prop-2-enyl nitrate;tin(4+) has a molecular weight of 221.79 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl nitrate;tin(4+) is sourced from PubChem (CID 87395806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).