dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile

C7H13IK2N2O3 — CID 158157610

IUPACdipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile
SMILESC.CCC#N.N#CCI.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C3H5N.C2H2IN.CH2O3.CH4.2K.H/c1-2-3-4;3-1-2-4;2-1-4-3;;;;/h2H2,1H3;1H2;1,3H;1H4;;;/q;;;;2*+1;-1/p-1
InChIKeyOWMMLJHBPGZUAC-UHFFFAOYSA-M
MW378.29 g/mol
LogP-4.94
Rot. Bonds1

About dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile

dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile (PubChem CID 158157610) has the molecular formula C7H13IK2N2O3 and a molecular weight of 378.29 g/mol. Its IUPAC name is dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile.

Molecular Properties

Compound Namedipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile
PubChem CID158157610
Molecular FormulaC7H13IK2N2O3
Molecular Weight378.29 g/mol
Exact Mass377.92
IUPAC Namedipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile
SMILESC.CCC#N.N#CCI.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C3H5N.C2H2IN.CH2O3.CH4.2K.H/c1-2-3-4;3-1-2-4;2-1-4-3;;;;/h2H2,1H3;1H2;1,3H;1H4;;;/q;;;;2*+1;-1/p-1
InChIKeyOWMMLJHBPGZUAC-UHFFFAOYSA-M
XLogP-4.94
TPSA96.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 5-4.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile?
The IUPAC name of dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile (CID 158157610) is dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile.
What is the SMILES notation for dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile?
The canonical SMILES for dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile is C.CCC#N.N#CCI.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile?
The InChIKey is OWMMLJHBPGZUAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5N.C2H2IN.CH2O3.CH4.2K.H/c1-2-3-4;3-1-2-4;2-1-4-3;;;;/h2H2,1H3;1H2;1,3H;1H4;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile?
dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile has a molecular weight of 378.29 g/mol, XLogP of -4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydride;2-iodoacetonitrile;methane;oxido formate;propanenitrile is sourced from PubChem (CID 158157610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).