(3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one

C18H21NOP2 — CID 159273623

IUPAC(3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one
SMILESCPPN1CC[C@@](C)(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C18H21NOP2/c1-18(12-13-19(17(18)20)22-21-2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,21-22H,12-13H2,1-2H3/t18-/m0/s1
InChIKeyKYABVTOMRMNKPP-SFHVURJKSA-N
MW329.32 g/mol
LogP4.66
Rot. Bonds4

About (3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one

(3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one (PubChem CID 159273623) has the molecular formula C18H21NOP2 and a molecular weight of 329.32 g/mol. Its IUPAC name is (3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one
PubChem CID159273623
Molecular FormulaC18H21NOP2
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name(3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one
SMILESCPPN1CC[C@@](C)(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C18H21NOP2/c1-18(12-13-19(17(18)20)22-21-2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,21-22H,12-13H2,1-2H3/t18-/m0/s1
InChIKeyKYABVTOMRMNKPP-SFHVURJKSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.66
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 (3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one (CID 159273623) is (3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one is CPPN1CC[C@@](C)(c2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of (3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one?
The InChIKey is KYABVTOMRMNKPP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NOP2/c1-18(12-13-19(17(18)20)22-21-2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,21-22H,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one?
(3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one has a molecular weight of 329.32 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(2-methyldiphosphanyl)-3-(4-phenylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 159273623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).