propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate

C15H18ClNO3 — CID 91716546

IUPACpropyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-2-10-20-15(19)13-4-3-9-17(13)14(18)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3
InChIKeyJEMHGWYSYLKGCF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.90
Rot. Bonds4

About propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate

propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate (PubChem CID 91716546) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate
PubChem CID91716546
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namepropyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-2-10-20-15(19)13-4-3-9-17(13)14(18)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3
InChIKeyJEMHGWYSYLKGCF-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 2905142
Methyl 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 4406324
Methyl 1-benzoyl-5-thioxo-2-pyrrolidinecarboxylate
CID 392799
4-chloro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4422972
l-Proline, N-(4-fluorobenzoyl)-, methyl ester
CID 531399
L-Proline, 1-((4-chlorophenyl)methyl)-5-oxo-, methyl ester
CID 3042458
Benzamide, p-chloro-N-(2-oxotetrahydro-3-furyl)-
CID 53720
1-(4-Chlorobenzoyl)-5-(pentyloxy)pyrrolidin-2-one
CID 3077949
3-(4-Chlorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 5100362
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 2433789
(2S,4S)-Methyl 4-(4-chlorobenzamido)-1-acetylpyrrolidine-2-carboxylate
CID 25147158
Ethyl 1-(3-fluorobenzoyl)-2-methylpyrrolidine-2-carboxylate
CID 46942996

Frequently Asked Questions

What is the IUPAC name of propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate (CID 91716546) is propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate is CCCOC(=O)C1CCCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is JEMHGWYSYLKGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-2-10-20-15(19)13-4-3-9-17(13)14(18)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate?
propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 295.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(4-chlorobenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91716546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).