5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one

C10H15NO3 — CID 15073380

IUPAC5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one
SMILESCOC1(C)OC(=O)C=C1N1CCCC1
InChIInChI=1S/C10H15NO3/c1-10(13-2)8(7-9(12)14-10)11-5-3-4-6-11/h7H,3-6H2,1-2H3
InChIKeyNPEONAOSTDUBDD-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.89
Rot. Bonds2

About 5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one

5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one (PubChem CID 15073380) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one.

Molecular Properties

Compound Name5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one
PubChem CID15073380
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one
SMILESCOC1(C)OC(=O)C=C1N1CCCC1
InChIInChI=1S/C10H15NO3/c1-10(13-2)8(7-9(12)14-10)11-5-3-4-6-11/h7H,3-6H2,1-2H3
InChIKeyNPEONAOSTDUBDD-UHFFFAOYSA-N
XLogP0.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one?
The IUPAC name of 5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one (CID 15073380) is 5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one.
What is the SMILES notation for 5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one?
The canonical SMILES for 5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one is COC1(C)OC(=O)C=C1N1CCCC1.
What is the InChIKey of 5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one?
The InChIKey is NPEONAOSTDUBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(13-2)8(7-9(12)14-10)11-5-3-4-6-11/h7H,3-6H2,1-2H3.
What are the key properties of 5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one?
5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one has a molecular weight of 197.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-4-pyrrolidin-1-ylfuran-2-one is sourced from PubChem (CID 15073380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).