1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one

C9H13NO3 — CID 57219154

IUPAC1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one
SMILESCN1CCC(C2CCC(=O)O2)C1=O
InChIInChI=1S/C9H13NO3/c1-10-5-4-6(9(10)12)7-2-3-8(11)13-7/h6-7H,2-5H2,1H3
InChIKeyIUJMXOIYRPTFLD-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.17
Rot. Bonds1

About 1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one

1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one (PubChem CID 57219154) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one
PubChem CID57219154
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one
SMILESCN1CCC(C2CCC(=O)O2)C1=O
InChIInChI=1S/C9H13NO3/c1-10-5-4-6(9(10)12)7-2-3-8(11)13-7/h6-7H,2-5H2,1H3
InChIKeyIUJMXOIYRPTFLD-UHFFFAOYSA-N
XLogP0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]butyl]pyrrolidin-2-one
CID 101518055
[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclohexyl] acetate
CID 15935750
1-Ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one
CID 57244909
1-Methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one
CID 90789478
1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one
CID 154981358
2,5-Pyrrolidinedione, 1-ethyl-3-(5-ethyltetrahydro-2-furanyl)-
CID 11322085
1-Cyclohexyl-3-(oxolan-2-yl)pyrrolidine-2,5-dione
CID 24131119
2,5-Pyrrolidinedione, 3-(5-ethyltetrahydro-2-furanyl)-1-methyl-
CID 45095018
1-Ethyl-3-(5-methyltetrahydrofuran-2-yl)pyrrolidine-2,5-dione
CID 45095019
[3-(2-Methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 71986108
Methyl 1-[2-(oxan-2-yl)acetyl]pyrrolidine-3-carboxylate
CID 80187505
Methyl 4-methyl-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-3-carboxylate
CID 80192782

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one (CID 57219154) is 1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one is CN1CCC(C2CCC(=O)O2)C1=O.
What is the InChIKey of 1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one?
The InChIKey is IUJMXOIYRPTFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-10-5-4-6(9(10)12)7-2-3-8(11)13-7/h6-7H,2-5H2,1H3.
What are the key properties of 1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one?
1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 57219154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).