methyl 2-(4-pyrrolidin-2-ylphenyl)acetate

C13H17NO2 — CID 70987357

IUPACmethyl 2-(4-pyrrolidin-2-ylphenyl)acetate
SMILESCOC(=O)Cc1ccc(C2CCCN2)cc1
InChIInChI=1S/C13H17NO2/c1-16-13(15)9-10-4-6-11(7-5-10)12-3-2-8-14-12/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyJPVOOKXDWFIAOJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.83
Rot. Bonds3

About methyl 2-(4-pyrrolidin-2-ylphenyl)acetate

methyl 2-(4-pyrrolidin-2-ylphenyl)acetate (PubChem CID 70987357) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(4-pyrrolidin-2-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-pyrrolidin-2-ylphenyl)acetate
PubChem CID70987357
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(4-pyrrolidin-2-ylphenyl)acetate
SMILESCOC(=O)Cc1ccc(C2CCCN2)cc1
InChIInChI=1S/C13H17NO2/c1-16-13(15)9-10-4-6-11(7-5-10)12-3-2-8-14-12/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyJPVOOKXDWFIAOJ-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883
methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66519346
methyl 2-(4-pyrrolidin-3-ylphenyl)acetate
CID 117275092
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
N-methyl-5-[4-[(2S)-pyrrolidin-2-yl]phenyl]furan-2-carboxamide
CID 97444733
1-(4-piperidin-2-ylphenyl)propan-2-ol
CID 117313125
2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine
CID 117116726
ethyl 4-pyrrolidin-2-ylbenzoate
CID 146447328
methyl 2-[4-(piperidin-4-ylmethyl)phenyl]acetate
CID 118703296
N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride
CID 154574804
methyl 5-piperidin-2-ylpyridine-2-carboxylate
CID 54396693
2-[4-(3-methoxy-3-methylbutyl)phenyl]pyrrolidine
CID 117116747

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyrrolidin-2-ylphenyl)acetate?
The IUPAC name of methyl 2-(4-pyrrolidin-2-ylphenyl)acetate (CID 70987357) is methyl 2-(4-pyrrolidin-2-ylphenyl)acetate.
What is the SMILES notation for methyl 2-(4-pyrrolidin-2-ylphenyl)acetate?
The canonical SMILES for methyl 2-(4-pyrrolidin-2-ylphenyl)acetate is COC(=O)Cc1ccc(C2CCCN2)cc1.
What is the InChIKey of methyl 2-(4-pyrrolidin-2-ylphenyl)acetate?
The InChIKey is JPVOOKXDWFIAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13(15)9-10-4-6-11(7-5-10)12-3-2-8-14-12/h4-7,12,14H,2-3,8-9H2,1H3.
What are the key properties of methyl 2-(4-pyrrolidin-2-ylphenyl)acetate?
methyl 2-(4-pyrrolidin-2-ylphenyl)acetate has a molecular weight of 219.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyrrolidin-2-ylphenyl)acetate is sourced from PubChem (CID 70987357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).