ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate

C10H17NO3 — CID 119031281

IUPACethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C(C)C)CNC(=O)C1
InChIInChI=1S/C10H17NO3/c1-4-14-9(13)10(7(2)3)5-8(12)11-6-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyPDJJFEISRGETBO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.71
Rot. Bonds3

About ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate

ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 119031281) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID119031281
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C(C)C)CNC(=O)C1
InChIInChI=1S/C10H17NO3/c1-4-14-9(13)10(7(2)3)5-8(12)11-6-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyPDJJFEISRGETBO-UHFFFAOYSA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate (CID 119031281) is ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate is CCOC(=O)C1(C(C)C)CNC(=O)C1.
What is the InChIKey of ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is PDJJFEISRGETBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-14-9(13)10(7(2)3)5-8(12)11-6-10/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate?
ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 119031281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).