(1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate

C20H23NO2 — CID 45267212

IUPAC(1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate
SMILESCN1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-20(16-9-5-3-6-10-16,17-11-7-4-8-12-17)19(22)23-18-13-14-21(2)15-18/h3-12,18H,13-15H2,1-2H3
InChIKeyPSENLAALRJIGEA-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.24
Rot. Bonds4

About (1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate

(1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate (PubChem CID 45267212) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate
PubChem CID45267212
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate
SMILESCN1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-20(16-9-5-3-6-10-16,17-11-7-4-8-12-17)19(22)23-18-13-14-21(2)15-18/h3-12,18H,13-15H2,1-2H3
InChIKeyPSENLAALRJIGEA-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate?
The IUPAC name of (1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate (CID 45267212) is (1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate is CN1CCC(OC(=O)C(C)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate?
The InChIKey is PSENLAALRJIGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(16-9-5-3-6-10-16,17-11-7-4-8-12-17)19(22)23-18-13-14-21(2)15-18/h3-12,18H,13-15H2,1-2H3.
What are the key properties of (1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate?
(1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate has a molecular weight of 309.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl) 2,2-diphenylpropanoate is sourced from PubChem (CID 45267212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).