ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate

C17H24ClNO2 — CID 64526458

IUPACethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate
SMILESCCOC(=O)CC(CC)(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C17H24ClNO2/c1-3-17(13-16(20)21-4-2,19-11-5-6-12-19)14-7-9-15(18)10-8-14/h7-10H,3-6,11-13H2,1-2H3
InChIKeyQSWDVEPAJDEQBV-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.99
Rot. Bonds6

About ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate

ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate (PubChem CID 64526458) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate
PubChem CID64526458
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Nameethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate
SMILESCCOC(=O)CC(CC)(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C17H24ClNO2/c1-3-17(13-16(20)21-4-2,19-11-5-6-12-19)14-7-9-15(18)10-8-14/h7-10H,3-6,11-13H2,1-2H3
InChIKeyQSWDVEPAJDEQBV-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64527625
ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate
CID 103466113
ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate
CID 64540117
ethyl 3-(2,5-dichlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64540295
3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid
CID 64529115
3-(4-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid
CID 64529113
ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate
CID 10172125
ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate
CID 64529180
ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate
CID 64539061
ethyl 3-(4-chlorophenyl)-3-cyclopropyl-3-(dimethylamino)propanoate
CID 64539059
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
ethyl (3S)-3-(3,4-difluorophenyl)-3-hydroxybutanoate
CID 94425144

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate (CID 64526458) is ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate is CCOC(=O)CC(CC)(c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate?
The InChIKey is QSWDVEPAJDEQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-17(13-16(20)21-4-2,19-11-5-6-12-19)14-7-9-15(18)10-8-14/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate?
ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate has a molecular weight of 309.84 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate is sourced from PubChem (CID 64526458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).