(5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one

C20H24NOP — CID 102002966

IUPAC(5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one
SMILESCN1C(=O)C(C)(C)C[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24NOP/c1-20(2)14-16(21(3)19(20)22)15-23(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3/t16-/m0/s1
InChIKeyXTTROFUXDRBGAI-INIZCTEOSA-N
MW325.39 g/mol
LogP3.38
Rot. Bonds4

About (5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one

(5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one (PubChem CID 102002966) has the molecular formula C20H24NOP and a molecular weight of 325.39 g/mol. Its IUPAC name is (5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one
PubChem CID102002966
Molecular FormulaC20H24NOP
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name(5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one
SMILESCN1C(=O)C(C)(C)C[C@H]1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24NOP/c1-20(2)14-16(21(3)19(20)22)15-23(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3/t16-/m0/s1
InChIKeyXTTROFUXDRBGAI-INIZCTEOSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one (CID 102002966) is (5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one is CN1C(=O)C(C)(C)C[C@H]1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one?
The InChIKey is XTTROFUXDRBGAI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24NOP/c1-20(2)14-16(21(3)19(20)22)15-23(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3/t16-/m0/s1.
What are the key properties of (5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one?
(5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one has a molecular weight of 325.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(diphenylphosphanylmethyl)-1,3,3-trimethylpyrrolidin-2-one is sourced from PubChem (CID 102002966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).