benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate

C19H21NO2 — CID 68627613

IUPACbenzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate
SMILESCC1(c2ccccc2)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(17-11-6-3-7-12-17)13-8-14-20(19)18(21)22-15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3
InChIKeyXMNNEBVMJPHONG-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.33
Rot. Bonds3

About benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate

benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate (PubChem CID 68627613) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate
PubChem CID68627613
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namebenzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate
SMILESCC1(c2ccccc2)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(17-11-6-3-7-12-17)13-8-14-20(19)18(21)22-15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3
InChIKeyXMNNEBVMJPHONG-UHFFFAOYSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate (CID 68627613) is benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate is CC1(c2ccccc2)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate?
The InChIKey is XMNNEBVMJPHONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(17-11-6-3-7-12-17)13-8-14-20(19)18(21)22-15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3.
What are the key properties of benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate?
benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-2-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 68627613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).