3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C16H24NO5P — CID 87324494

IUPAC3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCOP(=O)(OCC)C1CCN(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C16H24NO5P/c1-4-21-23(19,22-5-2)15-10-11-17(16(15)18)12-13-6-8-14(20-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyAVFSXQOEAJOEIN-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.06
Rot. Bonds8

About 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 87324494) has the molecular formula C16H24NO5P and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID87324494
Molecular FormulaC16H24NO5P
Molecular Weight341.34 g/mol
Exact Mass341.14
IUPAC Name3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCOP(=O)(OCC)C1CCN(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C16H24NO5P/c1-4-21-23(19,22-5-2)15-10-11-17(16(15)18)12-13-6-8-14(20-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyAVFSXQOEAJOEIN-UHFFFAOYSA-N
XLogP3.06
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 87324494) is 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is CCOP(=O)(OCC)C1CCN(Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is AVFSXQOEAJOEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24NO5P/c1-4-21-23(19,22-5-2)15-10-11-17(16(15)18)12-13-6-8-14(20-3)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 341.34 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 87324494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).