1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one

C33H33NO2 — CID 23359653

IUPAC1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one
SMILESO=C1CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1CCCc1ccccc1
InChIInChI=1S/C33H33NO2/c35-32-24-28(25-34(32)23-13-16-27-14-5-1-6-15-27)26-36-33(29-17-7-2-8-18-29,30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-12,14-15,17-22,28H,13,16,23-26H2
InChIKeyMIXCFUQCUDFUEH-UHFFFAOYSA-N
MW475.63 g/mol
LogP6.48
Rot. Bonds10

About 1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one

1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 23359653) has the molecular formula C33H33NO2 and a molecular weight of 475.63 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one
PubChem CID23359653
Molecular FormulaC33H33NO2
Molecular Weight475.63 g/mol
Exact Mass475.25
IUPAC Name1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one
SMILESO=C1CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1CCCc1ccccc1
InChIInChI=1S/C33H33NO2/c35-32-24-28(25-34(32)23-13-16-27-14-5-1-6-15-27)26-36-33(29-17-7-2-8-18-29,30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-12,14-15,17-22,28H,13,16,23-26H2
InChIKeyMIXCFUQCUDFUEH-UHFFFAOYSA-N
XLogP6.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one (CID 23359653) is 1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one is O=C1CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is MIXCFUQCUDFUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO2/c35-32-24-28(25-34(32)23-13-16-27-14-5-1-6-15-27)26-36-33(29-17-7-2-8-18-29,30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-12,14-15,17-22,28H,13,16,23-26H2.
What are the key properties of 1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one?
1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 475.63 g/mol, XLogP of 6.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 23359653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).