3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile

C9H12N3O2P — CID 11770122

IUPAC3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
SMILESN#CCCOP(CCC#N)OCCC#N
InChIInChI=1S/C9H12N3O2P/c10-4-1-7-13-15(9-3-6-12)14-8-2-5-11/h1-3,7-9H2
InChIKeyYVVWOZGYVIUYIL-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.07
Rot. Bonds8

About 3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile

3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile (PubChem CID 11770122) has the molecular formula C9H12N3O2P and a molecular weight of 225.19 g/mol. Its IUPAC name is 3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
PubChem CID11770122
Molecular FormulaC9H12N3O2P
Molecular Weight225.19 g/mol
Exact Mass225.07
IUPAC Name3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
SMILESN#CCCOP(CCC#N)OCCC#N
InChIInChI=1S/C9H12N3O2P/c10-4-1-7-13-15(9-3-6-12)14-8-2-5-11/h1-3,7-9H2
InChIKeyYVVWOZGYVIUYIL-UHFFFAOYSA-N
XLogP2.07
TPSA89.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

bis(2-cyanoethoxyphosphonamidous acid);sulfane
CID 174370903
3-[chloro(methyl)phosphanyl]oxypropanenitrile
CID 20605747
3-[ethenyl(methoxy)phosphanyl]oxypropanenitrile
CID 144952761
tert-butyl(2-cyanoethoxy)phosphinous acid
CID 90741308
2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
2-cyanoethyl dipropan-2-yl phosphite
CID 22619650
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
3-methylperoxypropanenitrile
CID 22946466
3-bis(propan-2-ylamino)phosphanyloxypropanenitrile
CID 10013594
3-[methyl(methylaminomethoxy)phosphanyl]oxypropanenitrile
CID 58689682
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
3-dibromophosphanylpropanenitrile
CID 151056129

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile?
The IUPAC name of 3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile (CID 11770122) is 3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile.
What is the SMILES notation for 3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile?
The canonical SMILES for 3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile is N#CCCOP(CCC#N)OCCC#N.
What is the InChIKey of 3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile?
The InChIKey is YVVWOZGYVIUYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N3O2P/c10-4-1-7-13-15(9-3-6-12)14-8-2-5-11/h1-3,7-9H2.
What are the key properties of 3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile?
3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile has a molecular weight of 225.19 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile is sourced from PubChem (CID 11770122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).