1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one

C10H15NO3 — CID 155935570

IUPAC1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one
SMILESCC1(C)C[C@@H](N2CCCC2=O)OC1=O
InChIInChI=1S/C10H15NO3/c1-10(2)6-8(14-9(10)13)11-5-3-4-7(11)12/h8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyNQSFNEOAUBJGLG-QMMMGPOBSA-N
MW197.23 g/mol
LogP0.91
Rot. Bonds1

About 1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one

1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one (PubChem CID 155935570) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one
PubChem CID155935570
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one
SMILESCC1(C)C[C@@H](N2CCCC2=O)OC1=O
InChIInChI=1S/C10H15NO3/c1-10(2)6-8(14-9(10)13)11-5-3-4-7(11)12/h8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyNQSFNEOAUBJGLG-QMMMGPOBSA-N
XLogP0.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one (CID 155935570) is 1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one is CC1(C)C[C@@H](N2CCCC2=O)OC1=O.
What is the InChIKey of 1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one?
The InChIKey is NQSFNEOAUBJGLG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2)6-8(14-9(10)13)11-5-3-4-7(11)12/h8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one?
1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 155935570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).