(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole

C10H20NO3P — CID 11424790

IUPAC(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole
SMILESCCOP(=O)(OCC)[C@]1(C)CCC(C)=N1
InChIInChI=1S/C10H20NO3P/c1-5-13-15(12,14-6-2)10(4)8-7-9(3)11-10/h5-8H2,1-4H3/t10-/m1/s1
InChIKeyQYKOOOYOQWRAQO-SNVBAGLBSA-N
MW233.25 g/mol
LogP3.22
Rot. Bonds5

About (2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole

(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole (PubChem CID 11424790) has the molecular formula C10H20NO3P and a molecular weight of 233.25 g/mol. Its IUPAC name is (2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole.

Molecular Properties

Compound Name(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole
PubChem CID11424790
Molecular FormulaC10H20NO3P
Molecular Weight233.25 g/mol
Exact Mass233.12
IUPAC Name(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole
SMILESCCOP(=O)(OCC)[C@]1(C)CCC(C)=N1
InChIInChI=1S/C10H20NO3P/c1-5-13-15(12,14-6-2)10(4)8-7-9(3)11-10/h5-8H2,1-4H3/t10-/m1/s1
InChIKeyQYKOOOYOQWRAQO-SNVBAGLBSA-N
XLogP3.22
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole
CID 15882675
2-diethoxyphosphoryl-2-methylcyclohexan-1-one
CID 11791525
1-diethoxyphosphoryl-4-methylcyclohex-3-ene-1-carboxylic acid
CID 13360420
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
2-diethoxyphosphoryl-2-methylpyrrolidine
CID 5007980
tert-butyl-(1-diethoxyphosphorylcyclopropyl)-dimethylsilane
CID 99771569
2-diethoxyphosphoryl-2,3,3-trimethyloxirane
CID 24975893
1-[(2,2-dimethylaziridin-1-yl)-ethoxyphosphoryl]-2,2-dimethylaziridine
CID 26990
(1S)-1-diethoxyphosphoryl-2,3-dihydroinden-1-amine
CID 102390457
(1-diethoxyphosphoryl-2-methylidenecyclopropyl)phosphonic acid
CID 22212406
(1S,5S)-1-diethoxyphosphoryl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 132518276
CID 10920347
CID 10920347

Frequently Asked Questions

What is the IUPAC name of (2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole?
The IUPAC name of (2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole (CID 11424790) is (2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole.
What is the SMILES notation for (2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole?
The canonical SMILES for (2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole is CCOP(=O)(OCC)[C@]1(C)CCC(C)=N1.
What is the InChIKey of (2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole?
The InChIKey is QYKOOOYOQWRAQO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20NO3P/c1-5-13-15(12,14-6-2)10(4)8-7-9(3)11-10/h5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole?
(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole has a molecular weight of 233.25 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole is sourced from PubChem (CID 11424790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).