methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate

C19H21NO2 — CID 14476557

IUPACmethyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-22-18(21)19(17-10-6-3-7-11-17)12-13-20(15-19)14-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3
InChIKeyWKQDMNDNLBVMJY-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.00
Rot. Bonds4

About methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate

methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate (PubChem CID 14476557) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate
PubChem CID14476557
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-22-18(21)19(17-10-6-3-7-11-17)12-13-20(15-19)14-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3
InChIKeyWKQDMNDNLBVMJY-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate (CID 14476557) is methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate is COC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate?
The InChIKey is WKQDMNDNLBVMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-18(21)19(17-10-6-3-7-11-17)12-13-20(15-19)14-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3.
What are the key properties of methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate?
methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 14476557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).