diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite

C11H22NO4P — CID 13204167

IUPACdiethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite
SMILESCCOP(OCC)OCCCN1CCCC1=O
InChIInChI=1S/C11H22NO4P/c1-3-14-17(15-4-2)16-10-6-9-12-8-5-7-11(12)13/h3-10H2,1-2H3
InChIKeyCEEVINDTWQJEKZ-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.32
Rot. Bonds9

About diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite

diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite (PubChem CID 13204167) has the molecular formula C11H22NO4P and a molecular weight of 263.27 g/mol. Its IUPAC name is diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite.

Molecular Properties

Compound Namediethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite
PubChem CID13204167
Molecular FormulaC11H22NO4P
Molecular Weight263.27 g/mol
Exact Mass263.13
IUPAC Namediethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite
SMILESCCOP(OCC)OCCCN1CCCC1=O
InChIInChI=1S/C11H22NO4P/c1-3-14-17(15-4-2)16-10-6-9-12-8-5-7-11(12)13/h3-10H2,1-2H3
InChIKeyCEEVINDTWQJEKZ-UHFFFAOYSA-N
XLogP2.32
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite
CID 177176596
1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
CID 67625232
3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
CID 123583092
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855

Frequently Asked Questions

What is the IUPAC name of diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite?
The IUPAC name of diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite (CID 13204167) is diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite.
What is the SMILES notation for diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite?
The canonical SMILES for diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite is CCOP(OCC)OCCCN1CCCC1=O.
What is the InChIKey of diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite?
The InChIKey is CEEVINDTWQJEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO4P/c1-3-14-17(15-4-2)16-10-6-9-12-8-5-7-11(12)13/h3-10H2,1-2H3.
What are the key properties of diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite?
diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite has a molecular weight of 263.27 g/mol, XLogP of 2.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite is sourced from PubChem (CID 13204167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).