1-diethoxyphosphoryl-2,3-dihydroindole

C12H18NO3P — CID 102498614

IUPAC1-diethoxyphosphoryl-2,3-dihydroindole
SMILESCCOP(=O)(OCC)N1CCc2ccccc21
InChIInChI=1S/C12H18NO3P/c1-3-15-17(14,16-4-2)13-10-9-11-7-5-6-8-12(11)13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyJJYJFFLNJQPWRB-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.23
Rot. Bonds5

About 1-diethoxyphosphoryl-2,3-dihydroindole

1-diethoxyphosphoryl-2,3-dihydroindole (PubChem CID 102498614) has the molecular formula C12H18NO3P and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2,3-dihydroindole.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2,3-dihydroindole
PubChem CID102498614
Molecular FormulaC12H18NO3P
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name1-diethoxyphosphoryl-2,3-dihydroindole
SMILESCCOP(=O)(OCC)N1CCc2ccccc21
InChIInChI=1S/C12H18NO3P/c1-3-15-17(14,16-4-2)13-10-9-11-7-5-6-8-12(11)13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyJJYJFFLNJQPWRB-UHFFFAOYSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.23
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 1-diethoxyphosphoryl-2,3-dihydroindole?
The IUPAC name of 1-diethoxyphosphoryl-2,3-dihydroindole (CID 102498614) is 1-diethoxyphosphoryl-2,3-dihydroindole.
What is the SMILES notation for 1-diethoxyphosphoryl-2,3-dihydroindole?
The canonical SMILES for 1-diethoxyphosphoryl-2,3-dihydroindole is CCOP(=O)(OCC)N1CCc2ccccc21.
What is the InChIKey of 1-diethoxyphosphoryl-2,3-dihydroindole?
The InChIKey is JJYJFFLNJQPWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO3P/c1-3-15-17(14,16-4-2)13-10-9-11-7-5-6-8-12(11)13/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-2,3-dihydroindole?
1-diethoxyphosphoryl-2,3-dihydroindole has a molecular weight of 255.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2,3-dihydroindole is sourced from PubChem (CID 102498614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).