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RQWXNWRUQSOSDF-UHFFFAOYSA-N

C20H23NO2 — CID 86678243

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACbenzyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
SMILESCC1CN(Cc2ccccc2)CC1C(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO2/c1-16-12-21(13-17-8-4-2-5-9-17)14-19(16)20(22)23-15-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyRQWXNWRUQSOSDF-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.50
Rot. Bonds5

About RQWXNWRUQSOSDF-UHFFFAOYSA-N

RQWXNWRUQSOSDF-UHFFFAOYSA-N (PubChem CID 86678243) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is benzyl 1-benzyl-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound NameRQWXNWRUQSOSDF-UHFFFAOYSA-N
PubChem CID86678243
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namebenzyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
SMILESCC1CN(Cc2ccccc2)CC1C(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO2/c1-16-12-21(13-17-8-4-2-5-9-17)14-19(16)20(22)23-15-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyRQWXNWRUQSOSDF-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of RQWXNWRUQSOSDF-UHFFFAOYSA-N?
The IUPAC name of RQWXNWRUQSOSDF-UHFFFAOYSA-N (CID 86678243) is benzyl 1-benzyl-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for RQWXNWRUQSOSDF-UHFFFAOYSA-N?
The canonical SMILES for RQWXNWRUQSOSDF-UHFFFAOYSA-N is CC1CN(Cc2ccccc2)CC1C(=O)OCc1ccccc1.
What is the InChIKey of RQWXNWRUQSOSDF-UHFFFAOYSA-N?
The InChIKey is RQWXNWRUQSOSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16-12-21(13-17-8-4-2-5-9-17)14-19(16)20(22)23-15-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3.
What are the key properties of RQWXNWRUQSOSDF-UHFFFAOYSA-N?
RQWXNWRUQSOSDF-UHFFFAOYSA-N has a molecular weight of 309.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for RQWXNWRUQSOSDF-UHFFFAOYSA-N is sourced from PubChem (CID 86678243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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