ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate

C13H16ClNO2 — CID 134162600

IUPACethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-2-17-13(16)11-8-15-7-10(11)9-5-3-4-6-12(9)14/h3-6,10-11,15H,2,7-8H2,1H3
InChIKeyARVMKHHTOAFXLV-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.21
Rot. Bonds3

About ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate

ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate (PubChem CID 134162600) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate
PubChem CID134162600
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Nameethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-2-17-13(16)11-8-15-7-10(11)9-5-3-4-6-12(9)14/h3-6,10-11,15H,2,7-8H2,1H3
InChIKeyARVMKHHTOAFXLV-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 86338840
ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate
CID 23000180
ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate
CID 114486851
ethyl (2R,3R)-2-(2-chlorophenyl)pyrrolidine-3-carboxylate
CID 129452981
ethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129462996
(3R,4S)-3-(2-chlorophenyl)-4-ethylpyrrolidine
CID 125453363
methyl (3S,4S)-4-(2-chloro-4-methylphenyl)pyrrolidine-3-carboxylate
CID 129494072
ethyl 4-(1-methylpyrrol-3-yl)pyrrolidine-3-carboxylate
CID 165344473
methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
CID 51441231
[(3R,4R)-4-(2-chlorophenyl)pyrrolidin-3-yl]methanol
CID 129408298
4-(2-chlorophenyl)piperidine-3-carboxylic acid
CID 82388184
ethyl 6-(2-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 3373639

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate (CID 134162600) is ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate is CCOC(=O)C1CNCC1c1ccccc1Cl.
What is the InChIKey of ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate?
The InChIKey is ARVMKHHTOAFXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-2-17-13(16)11-8-15-7-10(11)9-5-3-4-6-12(9)14/h3-6,10-11,15H,2,7-8H2,1H3.
What are the key properties of ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate?
ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate has a molecular weight of 253.73 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 134162600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).