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

C28H31NO2 — CID 23360228

IUPAC1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCC(C)CN1C(=O)CCC1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31NO2/c1-22(2)20-29-26(18-19-27(29)30)21-31-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,22,26H,18-21H2,1-2H3
InChIKeyZFBHNKRVTJSQCU-UHFFFAOYSA-N
MW413.56 g/mol
LogP5.64
Rot. Bonds8

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

1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 23360228) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID23360228
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC Name1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one
SMILESCC(C)CN1C(=O)CCC1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31NO2/c1-22(2)20-29-26(18-19-27(29)30)21-31-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,22,26H,18-21H2,1-2H3
InChIKeyZFBHNKRVTJSQCU-UHFFFAOYSA-N
XLogP5.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.64
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-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one (CID 23360228) is 1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one is CC(C)CN1C(=O)CCC1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is ZFBHNKRVTJSQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO2/c1-22(2)20-29-26(18-19-27(29)30)21-31-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,22,26H,18-21H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one?
1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 413.56 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 23360228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).