3-chlorophosphanyloxypropanenitrile;ethane

C5H11ClNOP — CID 142844149

IUPAC3-chlorophosphanyloxypropanenitrile;ethane
SMILESCC.N#CCCOPCl
InChIInChI=1S/C3H5ClNOP.C2H6/c4-7-6-3-1-2-5;1-2/h7H,1,3H2;1-2H3
InChIKeyIWVYEVYUBUTVDZ-UHFFFAOYSA-N
MW167.58 g/mol
LogP2.69
Rot. Bonds3

About 3-chlorophosphanyloxypropanenitrile;ethane

3-chlorophosphanyloxypropanenitrile;ethane (PubChem CID 142844149) has the molecular formula C5H11ClNOP and a molecular weight of 167.58 g/mol. Its IUPAC name is 3-chlorophosphanyloxypropanenitrile;ethane.

Molecular Properties

Compound Name3-chlorophosphanyloxypropanenitrile;ethane
PubChem CID142844149
Molecular FormulaC5H11ClNOP
Molecular Weight167.58 g/mol
Exact Mass167.03
IUPAC Name3-chlorophosphanyloxypropanenitrile;ethane
SMILESCC.N#CCCOPCl
InChIInChI=1S/C3H5ClNOP.C2H6/c4-7-6-3-1-2-5;1-2/h7H,1,3H2;1-2H3
InChIKeyIWVYEVYUBUTVDZ-UHFFFAOYSA-N
XLogP2.69
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.58
LogP ≤ 52.69
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

carbanide;3-chlorophosphanyloxypropanenitrile;nickel
CID 58133304
4-chlorophosphanyloxybutanenitrile
CID 163644616
ethane;3-methoxypropanenitrile
CID 142187534
3-[chloro(methyl)phosphanyl]oxypropanenitrile
CID 20605747
3-methoxypropanenitrile
CID 161061289
3-[methyl(propan-2-yl)amino]phosphanyloxypropanenitrile
CID 146204554
chlorophosphanyl-(2-cyanoethoxy)-di(propan-2-yl)azanium
CID 22605280
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
3-methylperoxypropanenitrile
CID 22946466
2-cyanoethyl acetate;ethane
CID 145130643
2-cyanoethyl dipropan-2-yl phosphite
CID 22619650
3-[(E)-2-(2-cyanoethoxy)ethenoxy]propanenitrile
CID 170276517

Frequently Asked Questions

What is the IUPAC name of 3-chlorophosphanyloxypropanenitrile;ethane?
The IUPAC name of 3-chlorophosphanyloxypropanenitrile;ethane (CID 142844149) is 3-chlorophosphanyloxypropanenitrile;ethane.
What is the SMILES notation for 3-chlorophosphanyloxypropanenitrile;ethane?
The canonical SMILES for 3-chlorophosphanyloxypropanenitrile;ethane is CC.N#CCCOPCl.
What is the InChIKey of 3-chlorophosphanyloxypropanenitrile;ethane?
The InChIKey is IWVYEVYUBUTVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClNOP.C2H6/c4-7-6-3-1-2-5;1-2/h7H,1,3H2;1-2H3.
What are the key properties of 3-chlorophosphanyloxypropanenitrile;ethane?
3-chlorophosphanyloxypropanenitrile;ethane has a molecular weight of 167.58 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorophosphanyloxypropanenitrile;ethane is sourced from PubChem (CID 142844149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).