(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine

C18H22NOP — CID 11087864

IUPAC(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine
SMILESCC1(C)CC[C@H](P(=O)(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C18H22NOP/c1-18(2)14-13-17(19-18)21(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19H,13-14H2,1-2H3/t17-/m0/s1
InChIKeyYQFJNLMDDYTZSA-KRWDZBQOSA-N
MW299.35 g/mol
LogP3.49
Rot. Bonds3

About (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine

(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine (PubChem CID 11087864) has the molecular formula C18H22NOP and a molecular weight of 299.35 g/mol. Its IUPAC name is (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine
PubChem CID11087864
Molecular FormulaC18H22NOP
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine
SMILESCC1(C)CC[C@H](P(=O)(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C18H22NOP/c1-18(2)14-13-17(19-18)21(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19H,13-14H2,1-2H3/t17-/m0/s1
InChIKeyYQFJNLMDDYTZSA-KRWDZBQOSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4S)-2-diphenylphosphoryl-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46184298
2-diphenylphosphorylpyrrolidine
CID 11097633
(1R,2S,4S)-2-diphenylphosphoryl-1,3,3-trimethylbicyclo[2.2.1]heptane
CID 46184539
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol
CID 162391375
(1S,2S,3S,4S)-2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane
CID 6595843
(2S,3S,4S)-2-diphenylphosphoryl-4-phenyl-1-oxaspiro[2.5]octane
CID 101097556
(5R)-5-diphenylphosphoryl-1-ethoxy-6,6-dimethylcycloheptene
CID 102091488
2-diphenylphosphoryl-1-phenylphospholane
CID 101412404
3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione
CID 175507545
(2S,3S)-2-(difluoromethyl)-3-diphenylphosphoryl-2-methoxyaziridine
CID 11850193
2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone
CID 22237342

Frequently Asked Questions

What is the IUPAC name of (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine?
The IUPAC name of (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine (CID 11087864) is (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine.
What is the SMILES notation for (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine?
The canonical SMILES for (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine is CC1(C)CC[C@H](P(=O)(c2ccccc2)c2ccccc2)N1.
What is the InChIKey of (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine?
The InChIKey is YQFJNLMDDYTZSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22NOP/c1-18(2)14-13-17(19-18)21(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,19H,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine?
(5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine has a molecular weight of 299.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-diphenylphosphoryl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 11087864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).