2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one

C10H15NO3 — CID 175699777

IUPAC2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1[C@H]1CCOC1
InChIInChI=1S/C10H15NO3/c1-2-7-5-9(12)10(13)11(7)8-3-4-14-6-8/h5,7-8,12H,2-4,6H2,1H3/t7?,8-/m0/s1
InChIKeyMQQOCGSDUMBJMR-MQWKRIRWSA-N
MW197.23 g/mol
LogP0.84
Rot. Bonds2

About 2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one

2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one (PubChem CID 175699777) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one
PubChem CID175699777
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1[C@H]1CCOC1
InChIInChI=1S/C10H15NO3/c1-2-7-5-9(12)10(13)11(7)8-3-4-14-6-8/h5,7-8,12H,2-4,6H2,1H3/t7?,8-/m0/s1
InChIKeyMQQOCGSDUMBJMR-MQWKRIRWSA-N
XLogP0.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one?
The IUPAC name of 2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one (CID 175699777) is 2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one?
The canonical SMILES for 2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one is CCC1C=C(O)C(=O)N1[C@H]1CCOC1.
What is the InChIKey of 2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one?
The InChIKey is MQQOCGSDUMBJMR-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-7-5-9(12)10(13)11(7)8-3-4-14-6-8/h5,7-8,12H,2-4,6H2,1H3/t7?,8-/m0/s1.
What are the key properties of 2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one?
2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one has a molecular weight of 197.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 175699777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).