methyl 2-phenylpyrrolidine-3-carboxylate

C12H15NO2 — CID 12955149

IUPACmethyl 2-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCNC1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-15-12(14)10-7-8-13-11(10)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3
InChIKeyCQACFNSKPYNJEE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.51
Rot. Bonds2

About methyl 2-phenylpyrrolidine-3-carboxylate

methyl 2-phenylpyrrolidine-3-carboxylate (PubChem CID 12955149) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenylpyrrolidine-3-carboxylate
PubChem CID12955149
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCNC1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-15-12(14)10-7-8-13-11(10)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3
InChIKeyCQACFNSKPYNJEE-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 2-phenylpyrrolidine-3-carboxylate (CID 12955149) is methyl 2-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 2-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 2-phenylpyrrolidine-3-carboxylate is COC(=O)C1CCNC1c1ccccc1.
What is the InChIKey of methyl 2-phenylpyrrolidine-3-carboxylate?
The InChIKey is CQACFNSKPYNJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)10-7-8-13-11(10)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3.
What are the key properties of methyl 2-phenylpyrrolidine-3-carboxylate?
methyl 2-phenylpyrrolidine-3-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 12955149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).