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

C10H17NO3 — CID 175699802

IUPAC2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1[C@@H](C)COC
InChIInChI=1S/C10H17NO3/c1-4-8-5-9(12)10(13)11(8)7(2)6-14-3/h5,7-8,12H,4,6H2,1-3H3/t7-,8?/m0/s1
InChIKeyUAZMMQLJTHRKIC-JAMMHHFISA-N
MW199.25 g/mol
LogP1.08
Rot. Bonds4

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

2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one (PubChem CID 175699802) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one
PubChem CID175699802
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1[C@@H](C)COC
InChIInChI=1S/C10H17NO3/c1-4-8-5-9(12)10(13)11(8)7(2)6-14-3/h5,7-8,12H,4,6H2,1-3H3/t7-,8?/m0/s1
InChIKeyUAZMMQLJTHRKIC-JAMMHHFISA-N
XLogP1.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 172552143
2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 175699718
2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one
CID 175699741
2-ethyl-4-hydroxy-1-[(3R)-oxolan-3-yl]-2H-pyrrol-5-one
CID 175699748
1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one
CID 175699767
2-ethyl-4-hydroxy-1-[(3S)-oxolan-3-yl]-2H-pyrrol-5-one
CID 175699777
2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one
CID 175699804
2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one
CID 175699810
1-[(2S)-butan-2-yl]-2-ethyl-4-hydroxy-2H-pyrrol-5-one
CID 175699818
2-hydroxy-N,N-bis(2-hydroxyethyl)pent-2-enamide
CID 176368032
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 99776373
N-(2-hydroxypropyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 109904634

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one?
The IUPAC name of 2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one (CID 175699802) is 2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one?
The canonical SMILES for 2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one is CCC1C=C(O)C(=O)N1[C@@H](C)COC.
What is the InChIKey of 2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one?
The InChIKey is UAZMMQLJTHRKIC-JAMMHHFISA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-8-5-9(12)10(13)11(8)7(2)6-14-3/h5,7-8,12H,4,6H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of 2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one?
2-ethyl-4-hydroxy-1-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one has a molecular weight of 199.25 g/mol, XLogP of 1.08, 4 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-[(2S)-1-methoxypropan-2-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 175699802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).