3-[ethoxy(methoxy)phosphanyl]propanenitrile

C6H12NO2P — CID 89187959

IUPAC3-[ethoxy(methoxy)phosphanyl]propanenitrile
SMILESCCOP(CCC#N)OC
InChIInChI=1S/C6H12NO2P/c1-3-9-10(8-2)6-4-5-7/h3-4,6H2,1-2H3
InChIKeyIDMSUEMWDPKJMG-UHFFFAOYSA-N
MW161.14 g/mol
LogP1.89
Rot. Bonds5

About 3-[ethoxy(methoxy)phosphanyl]propanenitrile

3-[ethoxy(methoxy)phosphanyl]propanenitrile (PubChem CID 89187959) has the molecular formula C6H12NO2P and a molecular weight of 161.14 g/mol. Its IUPAC name is 3-[ethoxy(methoxy)phosphanyl]propanenitrile.

Molecular Properties

Compound Name3-[ethoxy(methoxy)phosphanyl]propanenitrile
PubChem CID89187959
Molecular FormulaC6H12NO2P
Molecular Weight161.14 g/mol
Exact Mass161.06
IUPAC Name3-[ethoxy(methoxy)phosphanyl]propanenitrile
SMILESCCOP(CCC#N)OC
InChIInChI=1S/C6H12NO2P/c1-3-9-10(8-2)6-4-5-7/h3-4,6H2,1-2H3
InChIKeyIDMSUEMWDPKJMG-UHFFFAOYSA-N
XLogP1.89
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(methoxy)phosphanyl]propanenitrile?
The IUPAC name of 3-[ethoxy(methoxy)phosphanyl]propanenitrile (CID 89187959) is 3-[ethoxy(methoxy)phosphanyl]propanenitrile.
What is the SMILES notation for 3-[ethoxy(methoxy)phosphanyl]propanenitrile?
The canonical SMILES for 3-[ethoxy(methoxy)phosphanyl]propanenitrile is CCOP(CCC#N)OC.
What is the InChIKey of 3-[ethoxy(methoxy)phosphanyl]propanenitrile?
The InChIKey is IDMSUEMWDPKJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2P/c1-3-9-10(8-2)6-4-5-7/h3-4,6H2,1-2H3.
What are the key properties of 3-[ethoxy(methoxy)phosphanyl]propanenitrile?
3-[ethoxy(methoxy)phosphanyl]propanenitrile has a molecular weight of 161.14 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(methoxy)phosphanyl]propanenitrile is sourced from PubChem (CID 89187959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).