2-ethylhexyl pyrrolidine-2-carboxylate

C13H25NO2 — CID 19991656

IUPAC2-ethylhexyl pyrrolidine-2-carboxylate
SMILESCCCCC(CC)COC(=O)C1CCCN1
InChIInChI=1S/C13H25NO2/c1-3-5-7-11(4-2)10-16-13(15)12-8-6-9-14-12/h11-12,14H,3-10H2,1-2H3
InChIKeyFERNUMXLTVIMJO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds7

About 2-ethylhexyl pyrrolidine-2-carboxylate

2-ethylhexyl pyrrolidine-2-carboxylate (PubChem CID 19991656) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-ethylhexyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl pyrrolidine-2-carboxylate
PubChem CID19991656
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-ethylhexyl pyrrolidine-2-carboxylate
SMILESCCCCC(CC)COC(=O)C1CCCN1
InChIInChI=1S/C13H25NO2/c1-3-5-7-11(4-2)10-16-13(15)12-8-6-9-14-12/h11-12,14H,3-10H2,1-2H3
InChIKeyFERNUMXLTVIMJO-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl pyrrolidine-2-carboxylate?
The IUPAC name of 2-ethylhexyl pyrrolidine-2-carboxylate (CID 19991656) is 2-ethylhexyl pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-ethylhexyl pyrrolidine-2-carboxylate?
The canonical SMILES for 2-ethylhexyl pyrrolidine-2-carboxylate is CCCCC(CC)COC(=O)C1CCCN1.
What is the InChIKey of 2-ethylhexyl pyrrolidine-2-carboxylate?
The InChIKey is FERNUMXLTVIMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-7-11(4-2)10-16-13(15)12-8-6-9-14-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-ethylhexyl pyrrolidine-2-carboxylate?
2-ethylhexyl pyrrolidine-2-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 19991656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).