3-phosphanyloxypropanenitrile;rhenium

C3H6NOPRe — CID 153394986

IUPAC3-phosphanyloxypropanenitrile;rhenium
SMILESN#CCCOP.[Re]
InChIInChI=1S/C3H6NOP.Re/c4-2-1-3-5-6;/h1,3,6H2;
InChIKeyKVQGNQYVPVFKQI-UHFFFAOYSA-N
MW289.27 g/mol
LogP0.70
Rot. Bonds2

About 3-phosphanyloxypropanenitrile;rhenium

3-phosphanyloxypropanenitrile;rhenium (PubChem CID 153394986) has the molecular formula C3H6NOPRe and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-phosphanyloxypropanenitrile;rhenium.

Molecular Properties

Compound Name3-phosphanyloxypropanenitrile;rhenium
PubChem CID153394986
Molecular FormulaC3H6NOPRe
Molecular Weight289.27 g/mol
Exact Mass289.97
IUPAC Name3-phosphanyloxypropanenitrile;rhenium
SMILESN#CCCOP.[Re]
InChIInChI=1S/C3H6NOP.Re/c4-2-1-3-5-6;/h1,3,6H2;
InChIKeyKVQGNQYVPVFKQI-UHFFFAOYSA-N
XLogP0.70
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
3-methoxypropanenitrile
CID 161061289
3-(phosphanyloxymethoxy)propanenitrile;N-propan-2-ylpropan-2-amine
CID 88516613
3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile
CID 170276517
ethane;3-methoxypropanenitrile
CID 142187534
3-methylperoxypropanenitrile
CID 22946466
3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
CID 151275278
3-[2-(2-cyanoethoxy)ethylamino]propanenitrile
CID 13446506
3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
CID 11770122
3-(hydroxyamino)oxypropanenitrile
CID 156648374
3-[4-(2-cyanoethoxy)cyclohexyl]oxypropanenitrile
CID 154323667
6-(2-cyanoethoxy)hexanenitrile
CID 142730413

Frequently Asked Questions

What is the IUPAC name of 3-phosphanyloxypropanenitrile;rhenium?
The IUPAC name of 3-phosphanyloxypropanenitrile;rhenium (CID 153394986) is 3-phosphanyloxypropanenitrile;rhenium.
What is the SMILES notation for 3-phosphanyloxypropanenitrile;rhenium?
The canonical SMILES for 3-phosphanyloxypropanenitrile;rhenium is N#CCCOP.[Re].
What is the InChIKey of 3-phosphanyloxypropanenitrile;rhenium?
The InChIKey is KVQGNQYVPVFKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NOP.Re/c4-2-1-3-5-6;/h1,3,6H2;.
What are the key properties of 3-phosphanyloxypropanenitrile;rhenium?
3-phosphanyloxypropanenitrile;rhenium has a molecular weight of 289.27 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanyloxypropanenitrile;rhenium is sourced from PubChem (CID 153394986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).