2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole

C9H18NO3P — CID 15882675

IUPAC2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole
SMILESCCOP(=O)(OCC)C1(C)CCC=N1
InChIInChI=1S/C9H18NO3P/c1-4-12-14(11,13-5-2)9(3)7-6-8-10-9/h8H,4-7H2,1-3H3
InChIKeyBARQDOIFWWXBNM-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.83
Rot. Bonds5

About 2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole

2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole (PubChem CID 15882675) has the molecular formula C9H18NO3P and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole
PubChem CID15882675
Molecular FormulaC9H18NO3P
Molecular Weight219.22 g/mol
Exact Mass219.10
IUPAC Name2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole
SMILESCCOP(=O)(OCC)C1(C)CCC=N1
InChIInChI=1S/C9H18NO3P/c1-4-12-14(11,13-5-2)9(3)7-6-8-10-9/h8H,4-7H2,1-3H3
InChIKeyBARQDOIFWWXBNM-UHFFFAOYSA-N
XLogP2.83
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.83
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

(2R)-2-diethoxyphosphoryl-2,5-dimethyl-3,4-dihydropyrrole
CID 11424790
3,3-bis(diethoxyphosphoryl)cyclohexene
CID 19821537
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
2-diethoxyphosphoryl-2-methylcyclohexan-1-one
CID 11791525
4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole
CID 15495868
5-diethoxyphosphoryl-1-hydroxy-5-methyl-2H-pyrrole
CID 91130015
cis-(1S,2S)-1-diethoxyphosphoryl-2-ethenyl-1-methylcyclopropane
CID 58212706
azanium 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 2840419

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole?
The IUPAC name of 2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole (CID 15882675) is 2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole.
What is the SMILES notation for 2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole?
The canonical SMILES for 2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole is CCOP(=O)(OCC)C1(C)CCC=N1.
What is the InChIKey of 2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole?
The InChIKey is BARQDOIFWWXBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3P/c1-4-12-14(11,13-5-2)9(3)7-6-8-10-9/h8H,4-7H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole?
2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole has a molecular weight of 219.22 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-methyl-3,4-dihydropyrrole is sourced from PubChem (CID 15882675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).