2-ethylhexyl 2-pyrrolidin-1-ylpropanoate

C15H29NO2 — CID 141096243

IUPAC2-ethylhexyl 2-pyrrolidin-1-ylpropanoate
SMILESCCCCC(CC)COC(=O)C(C)N1CCCC1
InChIInChI=1S/C15H29NO2/c1-4-6-9-14(5-2)12-18-15(17)13(3)16-10-7-8-11-16/h13-14H,4-12H2,1-3H3
InChIKeyMZXYUVYZIZRZEW-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.23
Rot. Bonds8

About 2-ethylhexyl 2-pyrrolidin-1-ylpropanoate

2-ethylhexyl 2-pyrrolidin-1-ylpropanoate (PubChem CID 141096243) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-ethylhexyl 2-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Name2-ethylhexyl 2-pyrrolidin-1-ylpropanoate
PubChem CID141096243
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-ethylhexyl 2-pyrrolidin-1-ylpropanoate
SMILESCCCCC(CC)COC(=O)C(C)N1CCCC1
InChIInChI=1S/C15H29NO2/c1-4-6-9-14(5-2)12-18-15(17)13(3)16-10-7-8-11-16/h13-14H,4-12H2,1-3H3
InChIKeyMZXYUVYZIZRZEW-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylhexyl 4-ethyl-2-methyloctanoate
CID 150137070
2-ethylhexyl 2-methylbutanoate
CID 3023949
2-ethylhexyl 4-ethyl-2-(2-ethylhexyl)octanoate
CID 91272918
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate
CID 65220547
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
2-ethylhexyl 2-amino-3-hydroxybutanoate
CID 61302291
2-ethylhexyl 2-(methylamino)propanoate
CID 62638367
2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate
CID 150485594
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-pyrrolidin-1-ylpropanoate?
The IUPAC name of 2-ethylhexyl 2-pyrrolidin-1-ylpropanoate (CID 141096243) is 2-ethylhexyl 2-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for 2-ethylhexyl 2-pyrrolidin-1-ylpropanoate?
The canonical SMILES for 2-ethylhexyl 2-pyrrolidin-1-ylpropanoate is CCCCC(CC)COC(=O)C(C)N1CCCC1.
What is the InChIKey of 2-ethylhexyl 2-pyrrolidin-1-ylpropanoate?
The InChIKey is MZXYUVYZIZRZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-9-14(5-2)12-18-15(17)13(3)16-10-7-8-11-16/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-ethylhexyl 2-pyrrolidin-1-ylpropanoate?
2-ethylhexyl 2-pyrrolidin-1-ylpropanoate has a molecular weight of 255.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 141096243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).