ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate

C15H20ClNO2 — CID 174513327

IUPACethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-3-19-15(18)11(2)17-9-8-13(10-17)12-4-6-14(16)7-5-12/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyKZWVNDAMSAIHGE-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.08
Rot. Bonds4

About ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate

ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate (PubChem CID 174513327) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate
PubChem CID174513327
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-3-19-15(18)11(2)17-9-8-13(10-17)12-4-6-14(16)7-5-12/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyKZWVNDAMSAIHGE-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate?
The IUPAC name of ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate (CID 174513327) is ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate?
The canonical SMILES for ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate is CCOC(=O)C(C)N1CCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate?
The InChIKey is KZWVNDAMSAIHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-3-19-15(18)11(2)17-9-8-13(10-17)12-4-6-14(16)7-5-12/h4-7,11,13H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate?
ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate has a molecular weight of 281.78 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-chlorophenyl)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 174513327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).