carbanide;3-chlorophosphanyloxypropanenitrile;nickel

C4H8ClNNiOP- — CID 58133304

IUPACcarbanide;3-chlorophosphanyloxypropanenitrile;nickel
SMILESN#CCCOPCl.[CH3-].[Ni]
InChIInChI=1S/C3H5ClNOP.CH3.Ni/c4-7-6-3-1-2-5;;/h7H,1,3H2;1H3;/q;-1;
InChIKeyORYDAMJMHKZAAY-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.11
Rot. Bonds3

About carbanide;3-chlorophosphanyloxypropanenitrile;nickel

carbanide;3-chlorophosphanyloxypropanenitrile;nickel (PubChem CID 58133304) has the molecular formula C4H8ClNNiOP- and a molecular weight of 211.23 g/mol. Its IUPAC name is carbanide;3-chlorophosphanyloxypropanenitrile;nickel.

Molecular Properties

Compound Namecarbanide;3-chlorophosphanyloxypropanenitrile;nickel
PubChem CID58133304
Molecular FormulaC4H8ClNNiOP-
Molecular Weight211.23 g/mol
Exact Mass209.94
IUPAC Namecarbanide;3-chlorophosphanyloxypropanenitrile;nickel
SMILESN#CCCOPCl.[CH3-].[Ni]
InChIInChI=1S/C3H5ClNOP.CH3.Ni/c4-7-6-3-1-2-5;;/h7H,1,3H2;1H3;/q;-1;
InChIKeyORYDAMJMHKZAAY-UHFFFAOYSA-N
XLogP2.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-chlorophosphanyloxypropanenitrile;ethane
CID 142844149
4-chlorophosphanyloxybutanenitrile
CID 163644616
3-[chloro(methyl)phosphanyl]oxypropanenitrile
CID 20605747
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile
CID 146204554
chlorophosphanyl-(2-cyanoethoxy)-di(propan-2-yl)azanium
CID 22605280
3-methoxypropanenitrile
CID 161061289
3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile
CID 170276517
ethane;3-methoxypropanenitrile
CID 142187534
3-phosphanyloxypropanenitrile;rhenium
CID 153394986
3-methylperoxypropanenitrile
CID 22946466
3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
CID 151275278

Frequently Asked Questions

What is the IUPAC name of carbanide;3-chlorophosphanyloxypropanenitrile;nickel?
The IUPAC name of carbanide;3-chlorophosphanyloxypropanenitrile;nickel (CID 58133304) is carbanide;3-chlorophosphanyloxypropanenitrile;nickel.
What is the SMILES notation for carbanide;3-chlorophosphanyloxypropanenitrile;nickel?
The canonical SMILES for carbanide;3-chlorophosphanyloxypropanenitrile;nickel is N#CCCOPCl.[CH3-].[Ni].
What is the InChIKey of carbanide;3-chlorophosphanyloxypropanenitrile;nickel?
The InChIKey is ORYDAMJMHKZAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClNOP.CH3.Ni/c4-7-6-3-1-2-5;;/h7H,1,3H2;1H3;/q;-1;.
What are the key properties of carbanide;3-chlorophosphanyloxypropanenitrile;nickel?
carbanide;3-chlorophosphanyloxypropanenitrile;nickel has a molecular weight of 211.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-chlorophosphanyloxypropanenitrile;nickel is sourced from PubChem (CID 58133304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).