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

C26H27NO2 — CID 67461366

IUPAC1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCCN1C(=O)CCC1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO2/c1-2-27-24(18-19-25(27)28)20-29-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3
InChIKeyRFMZQROFNFHJTE-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.01
Rot. Bonds7

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

1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 67461366) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID67461366
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCCN1C(=O)CCC1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO2/c1-2-27-24(18-19-25(27)28)20-29-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3
InChIKeyRFMZQROFNFHJTE-UHFFFAOYSA-N
XLogP5.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.01
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-ethyl-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one (CID 67461366) is 1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one is CCN1C(=O)CCC1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is RFMZQROFNFHJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-2-27-24(18-19-25(27)28)20-29-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24H,2,18-20H2,1H3.
What are the key properties of 1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one?
1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 385.51 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 67461366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).