(3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one

C10H20NO2P — CID 66805490

IUPAC(3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one
SMILESCC(C)(C)N1CC[C@@H](P(C)(C)=O)C1=O
InChIInChI=1S/C10H20NO2P/c1-10(2,3)11-7-6-8(9(11)12)14(4,5)13/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyWYDOLOWCNCOVEG-MRVPVSSYSA-N
MW217.25 g/mol
LogP2.01
Rot. Bonds1

About (3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one

(3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one (PubChem CID 66805490) has the molecular formula C10H20NO2P and a molecular weight of 217.25 g/mol. Its IUPAC name is (3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one
PubChem CID66805490
Molecular FormulaC10H20NO2P
Molecular Weight217.25 g/mol
Exact Mass217.12
IUPAC Name(3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one
SMILESCC(C)(C)N1CC[C@@H](P(C)(C)=O)C1=O
InChIInChI=1S/C10H20NO2P/c1-10(2,3)11-7-6-8(9(11)12)14(4,5)13/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyWYDOLOWCNCOVEG-MRVPVSSYSA-N
XLogP2.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one?
The IUPAC name of (3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one (CID 66805490) is (3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one.
What is the SMILES notation for (3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one?
The canonical SMILES for (3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one is CC(C)(C)N1CC[C@@H](P(C)(C)=O)C1=O.
What is the InChIKey of (3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one?
The InChIKey is WYDOLOWCNCOVEG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20NO2P/c1-10(2,3)11-7-6-8(9(11)12)14(4,5)13/h8H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one?
(3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one has a molecular weight of 217.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-3-dimethylphosphorylpyrrolidin-2-one is sourced from PubChem (CID 66805490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).