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

C10H15NO3 — CID 90789478

IUPAC1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one
SMILESCN1CCC(CC2CCC(=O)O2)C1=O
InChIInChI=1S/C10H15NO3/c1-11-5-4-7(10(11)13)6-8-2-3-9(12)14-8/h7-8H,2-6H2,1H3
InChIKeyKFJMWYZIRGDDAN-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.56
Rot. Bonds2

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

1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one (PubChem CID 90789478) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one
PubChem CID90789478
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one
SMILESCN1CCC(CC2CCC(=O)O2)C1=O
InChIInChI=1S/C10H15NO3/c1-11-5-4-7(10(11)13)6-8-2-3-9(12)14-8/h7-8H,2-6H2,1H3
InChIKeyKFJMWYZIRGDDAN-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.56
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
Methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate
CID 11183756
1-Methyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one
CID 57219154
3-(Oxolan-2-ylmethyl)pyrrolidin-2-one
CID 104679304
1-Methyl-3-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 141875027
3-[(4-Methyl-5-oxooxolan-2-yl)methyl]pyrrolidin-2-one
CID 148108681
1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one
CID 154981358
tert-butyl (2S)-2-[[(3S)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate
CID 11499990
tert-butyl (2S)-2-[[(3R)-2-oxooxolan-3-yl]methyl]pyrrolidine-1-carboxylate
CID 11594206
Propan-2-yl 1,2-dibutyl-5-oxopyrrolidine-3-carboxylate
CID 54764466
2-[1-[3-(Oxolan-2-yl)propanoyl]pyrrolidin-3-yl]acetic acid
CID 65946602
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)methyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one (CID 90789478) is 1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one is CN1CCC(CC2CCC(=O)O2)C1=O.
What is the InChIKey of 1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is KFJMWYZIRGDDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-11-5-4-7(10(11)13)6-8-2-3-9(12)14-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one?
1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 197.23 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 1-methyl-3-[(5-oxooxolan-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 90789478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).