1-methyl-5-(trityloxymethyl)pyrrolidin-2-one

C25H25NO2 — CID 23360298

IUPAC1-methyl-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCN1C(=O)CCC1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-26-23(17-18-24(26)27)19-28-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3
InChIKeyCUHFGNCQUYBZDA-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.62
Rot. Bonds6

About 1-methyl-5-(trityloxymethyl)pyrrolidin-2-one

1-methyl-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 23360298) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-methyl-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID23360298
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name1-methyl-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCN1C(=O)CCC1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-26-23(17-18-24(26)27)19-28-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3
InChIKeyCUHFGNCQUYBZDA-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.62
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-methyl-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-(trityloxymethyl)pyrrolidin-2-one (CID 23360298) is 1-methyl-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-(trityloxymethyl)pyrrolidin-2-one is CN1C(=O)CCC1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-methyl-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is CUHFGNCQUYBZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-26-23(17-18-24(26)27)19-28-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3.
What are the key properties of 1-methyl-5-(trityloxymethyl)pyrrolidin-2-one?
1-methyl-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 371.48 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 23360298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).