propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate

C11H21NO2 — CID 143813112

IUPACpropan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate
SMILESCCC1CC(C)CN1C(=O)OC(C)C
InChIInChI=1S/C11H21NO2/c1-5-10-6-9(4)7-12(10)11(13)14-8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyXEARZIXHTPPSNO-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.65
Rot. Bonds2

About propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate

propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate (PubChem CID 143813112) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate
PubChem CID143813112
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate
SMILESCCC1CC(C)CN1C(=O)OC(C)C
InChIInChI=1S/C11H21NO2/c1-5-10-6-9(4)7-12(10)11(13)14-8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyXEARZIXHTPPSNO-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate (CID 143813112) is propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate is CCC1CC(C)CN1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate?
The InChIKey is XEARZIXHTPPSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-10-6-9(4)7-12(10)11(13)14-8(2)3/h8-10H,5-7H2,1-4H3.
What are the key properties of propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate?
propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 143813112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).