2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one

C12H15NO4 — CID 82064551

IUPAC2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCC(=O)N1CCCC1
InChIInChI=1S/C12H15NO4/c1-9-12(10(14)4-7-16-9)17-8-11(15)13-5-2-3-6-13/h4,7H,2-3,5-6,8H2,1H3
InChIKeyNGKZYIRTGXDLBJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.95
Rot. Bonds3

About 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one

2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one (PubChem CID 82064551) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one
PubChem CID82064551
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCC(=O)N1CCCC1
InChIInChI=1S/C12H15NO4/c1-9-12(10(14)4-7-16-9)17-8-11(15)13-5-2-3-6-13/h4,7H,2-3,5-6,8H2,1H3
InChIKeyNGKZYIRTGXDLBJ-UHFFFAOYSA-N
XLogP0.95
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethoxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one
CID 58662221
2-(1-Methylpyrrolidin-3-yl)oxycyclohexa-2,5-diene-1,4-dione
CID 69728904
[4-Oxo-6-(pyrrolidin-1-ylmethyl)pyran-3-yl] acetate
CID 87956547
2-(Chloromethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one
CID 82063979
3-[2-(Azepan-1-yl)-2-oxoethoxy]-2-methylpyran-4-one
CID 82064554
N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064556
2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide
CID 82064558
N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064560
N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064564
2-Methyl-3-(2-pyrrolidin-1-ylethoxy)pyran-4-one
CID 82064657
2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide
CID 82064661
5-methoxy-2-(pyrrolidin-1-ylcarbonyl)-4H-pyran-4-one
CID 91821217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one?
The IUPAC name of 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one (CID 82064551) is 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one.
What is the SMILES notation for 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one?
The canonical SMILES for 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one is Cc1occc(=O)c1OCC(=O)N1CCCC1.
What is the InChIKey of 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one?
The InChIKey is NGKZYIRTGXDLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9-12(10(14)4-7-16-9)17-8-11(15)13-5-2-3-6-13/h4,7H,2-3,5-6,8H2,1H3.
What are the key properties of 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one?
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one has a molecular weight of 237.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one is sourced from PubChem (CID 82064551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).