5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole

C24H23NO — CID 135006700

IUPAC5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole
SMILESc1ccc(C(OCC2=NCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO/c1-4-11-20(12-5-1)24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)26-19-23-17-10-18-25-23/h1-9,11-16H,10,17-19H2
InChIKeyHWNACSCFJIQZOX-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.23
Rot. Bonds6

About 5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole

5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole (PubChem CID 135006700) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole
PubChem CID135006700
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole
SMILESc1ccc(C(OCC2=NCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO/c1-4-11-20(12-5-1)24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)26-19-23-17-10-18-25-23/h1-9,11-16H,10,17-19H2
InChIKeyHWNACSCFJIQZOX-UHFFFAOYSA-N
XLogP5.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.23
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole (CID 135006700) is 5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole is c1ccc(C(OCC2=NCCC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is HWNACSCFJIQZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-4-11-20(12-5-1)24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)26-19-23-17-10-18-25-23/h1-9,11-16H,10,17-19H2.
What are the key properties of 5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole?
5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 341.45 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trityloxymethyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 135006700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).