ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate

C15H27NO2 — CID 55251482

IUPACethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C1CCCCC1CC
InChIInChI=1S/C15H27NO2/c1-3-12-8-5-6-9-13(12)16-11-7-10-14(16)15(17)18-4-2/h12-14H,3-11H2,1-2H3
InChIKeyFYEGKLIJMTUXQB-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.98
Rot. Bonds4

About ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate

ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate (PubChem CID 55251482) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate
PubChem CID55251482
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C1CCCCC1CC
InChIInChI=1S/C15H27NO2/c1-3-12-8-5-6-9-13(12)16-11-7-10-14(16)15(17)18-4-2/h12-14H,3-11H2,1-2H3
InChIKeyFYEGKLIJMTUXQB-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-cyclohexylpropan-2-yl 1-cyanopyrrolidine-2-carboxylate
CID 44391459
L-Proline, N-(cyclohexanecarbonyl)-, ethyl ester
CID 54979384
tert-butyl (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 115537188
ethyl (2S)-4-fluoro-1,3-dimethylpyrrolidine-2-carboxylate
CID 144826822
L-Proline, N-(3-cyclopentylpropionyl)-, ethyl ester
CID 55006307
L-Proline, N-(cyclohexanecarbonyl)-, propyl ester
CID 91695510
L-Proline, N-(cyclohexanecarbonyl)-, isobutyl ester
CID 91695511
L-Proline, N-(cyclohexanecarbonyl)-, butyl ester
CID 91695512
L-Proline, N-(cyclohexanecarbonyl)-, pentyl ester
CID 91695513
L-Proline, N-(cyclohexanecarbonyl)-, isohexyl ester
CID 91695514
L-Proline, N-(cyclohexanecarbonyl)-, hexyl ester
CID 91695515
L-Proline, N-(cyclohexanecarbonyl)-, undecyl ester
CID 91695516

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate (CID 55251482) is ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C1CCCCC1CC.
What is the InChIKey of ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate?
The InChIKey is FYEGKLIJMTUXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-12-8-5-6-9-13(12)16-11-7-10-14(16)15(17)18-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate?
ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55251482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).