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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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).