(1-methylpyrrolidin-3-yl) 2-phenylacetate

C13H17NO2 — CID 11127780

IUPAC(1-methylpyrrolidin-3-yl) 2-phenylacetate
SMILESCN1CCC(OC(=O)Cc2ccccc2)C1
InChIInChI=1S/C13H17NO2/c1-14-8-7-12(10-14)16-13(15)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyMGGPYPQEQUZHDC-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.48
Rot. Bonds3

About (1-methylpyrrolidin-3-yl) 2-phenylacetate

(1-methylpyrrolidin-3-yl) 2-phenylacetate (PubChem CID 11127780) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) 2-phenylacetate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) 2-phenylacetate
PubChem CID11127780
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(1-methylpyrrolidin-3-yl) 2-phenylacetate
SMILESCN1CCC(OC(=O)Cc2ccccc2)C1
InChIInChI=1S/C13H17NO2/c1-14-8-7-12(10-14)16-13(15)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKeyMGGPYPQEQUZHDC-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
cyclopropyl 2-phenylacetate
CID 135066962
[1-[(3S)-3-amino-3-phenylpropyl]piperidin-4-yl] 2-phenylacetate
CID 174377756
(4-oxocyclohexyl) 2-phenylacetate
CID 175483439
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
benzyl (1-methylpiperidin-4-yl) carbonate
CID 58676243
[(1R,5S)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-phenylacetate
CID 10061357
(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
CID 46213454
[(1S,5S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-phenylacetate
CID 91750089
[1-methyl-2-(2-phenylethyl)diazinan-4-yl] propanoate
CID 15644102
(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate
CID 174486907
(1-methylpyrrolidin-3-yl) 2-cyclopentylacetate
CID 142907839

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl) 2-phenylacetate?
The IUPAC name of (1-methylpyrrolidin-3-yl) 2-phenylacetate (CID 11127780) is (1-methylpyrrolidin-3-yl) 2-phenylacetate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) 2-phenylacetate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) 2-phenylacetate is CN1CCC(OC(=O)Cc2ccccc2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl) 2-phenylacetate?
The InChIKey is MGGPYPQEQUZHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14-8-7-12(10-14)16-13(15)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl) 2-phenylacetate?
(1-methylpyrrolidin-3-yl) 2-phenylacetate has a molecular weight of 219.28 g/mol, XLogP of 1.48, 3 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-phenylacetate is sourced from PubChem (CID 11127780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).