methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate

C9H15NO3 — CID 67461794

IUPACmethyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1C(C)C
InChIInChI=1S/C9H15NO3/c1-6(2)10-7(9(12)13-3)4-5-8(10)11/h6-7H,4-5H2,1-3H3
InChIKeyHBRMNPXGFMAHRX-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.56
Rot. Bonds2

About methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate

methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate (PubChem CID 67461794) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
PubChem CID67461794
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1C(C)C
InChIInChI=1S/C9H15NO3/c1-6(2)10-7(9(12)13-3)4-5-8(10)11/h6-7H,4-5H2,1-3H3
InChIKeyHBRMNPXGFMAHRX-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate (CID 67461794) is methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate is COC(=O)C1CCC(=O)N1C(C)C.
What is the InChIKey of methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
The InChIKey is HBRMNPXGFMAHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)10-7(9(12)13-3)4-5-8(10)11/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate?
methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 67461794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).