methyl 2-phenyl-2-pyrrolidin-1-ylacetate

C13H17NO2 — CID 22449911

IUPACmethyl 2-phenyl-2-pyrrolidin-1-ylacetate
SMILESCOC(=O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C13H17NO2/c1-16-13(15)12(14-9-5-6-10-14)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyNVTLFQBLMSATNO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.00
Rot. Bonds3

About methyl 2-phenyl-2-pyrrolidin-1-ylacetate

methyl 2-phenyl-2-pyrrolidin-1-ylacetate (PubChem CID 22449911) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-phenyl-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-pyrrolidin-1-ylacetate
PubChem CID22449911
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-phenyl-2-pyrrolidin-1-ylacetate
SMILESCOC(=O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C13H17NO2/c1-16-13(15)12(14-9-5-6-10-14)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyNVTLFQBLMSATNO-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-pyrrolidin-1-ylacetate?
The IUPAC name of methyl 2-phenyl-2-pyrrolidin-1-ylacetate (CID 22449911) is methyl 2-phenyl-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for methyl 2-phenyl-2-pyrrolidin-1-ylacetate?
The canonical SMILES for methyl 2-phenyl-2-pyrrolidin-1-ylacetate is COC(=O)C(c1ccccc1)N1CCCC1.
What is the InChIKey of methyl 2-phenyl-2-pyrrolidin-1-ylacetate?
The InChIKey is NVTLFQBLMSATNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13(15)12(14-9-5-6-10-14)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3.
What are the key properties of methyl 2-phenyl-2-pyrrolidin-1-ylacetate?
methyl 2-phenyl-2-pyrrolidin-1-ylacetate has a molecular weight of 219.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 22449911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).