2-ethylhexyl 2-propylpyrrolidine-2-carboxylate

C16H31NO2 — CID 106978103

IUPAC2-ethylhexyl 2-propylpyrrolidine-2-carboxylate
SMILESCCCCC(CC)COC(=O)C1(CCC)CCCN1
InChIInChI=1S/C16H31NO2/c1-4-7-9-14(6-3)13-19-15(18)16(10-5-2)11-8-12-17-16/h14,17H,4-13H2,1-3H3
InChIKeyKCJFXRFDVHIXIN-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.67
Rot. Bonds9

About 2-ethylhexyl 2-propylpyrrolidine-2-carboxylate

2-ethylhexyl 2-propylpyrrolidine-2-carboxylate (PubChem CID 106978103) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-ethylhexyl 2-propylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 2-propylpyrrolidine-2-carboxylate
PubChem CID106978103
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-ethylhexyl 2-propylpyrrolidine-2-carboxylate
SMILESCCCCC(CC)COC(=O)C1(CCC)CCCN1
InChIInChI=1S/C16H31NO2/c1-4-7-9-14(6-3)13-19-15(18)16(10-5-2)11-8-12-17-16/h14,17H,4-13H2,1-3H3
InChIKeyKCJFXRFDVHIXIN-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-propylpyrrolidine-2-carboxylate?
The IUPAC name of 2-ethylhexyl 2-propylpyrrolidine-2-carboxylate (CID 106978103) is 2-ethylhexyl 2-propylpyrrolidine-2-carboxylate.
What is the SMILES notation for 2-ethylhexyl 2-propylpyrrolidine-2-carboxylate?
The canonical SMILES for 2-ethylhexyl 2-propylpyrrolidine-2-carboxylate is CCCCC(CC)COC(=O)C1(CCC)CCCN1.
What is the InChIKey of 2-ethylhexyl 2-propylpyrrolidine-2-carboxylate?
The InChIKey is KCJFXRFDVHIXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-7-9-14(6-3)13-19-15(18)16(10-5-2)11-8-12-17-16/h14,17H,4-13H2,1-3H3.
What are the key properties of 2-ethylhexyl 2-propylpyrrolidine-2-carboxylate?
2-ethylhexyl 2-propylpyrrolidine-2-carboxylate has a molecular weight of 269.43 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-propylpyrrolidine-2-carboxylate is sourced from PubChem (CID 106978103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).