1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one

C11H19NO4 — CID 175699767

IUPAC1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1C(COC)COC
InChIInChI=1S/C11H19NO4/c1-4-8-5-10(13)11(14)12(8)9(6-15-2)7-16-3/h5,8-9,13H,4,6-7H2,1-3H3
InChIKeyLPVJBUWTVQQEPI-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.71
Rot. Bonds6

About 1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one

1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one (PubChem CID 175699767) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one
PubChem CID175699767
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1C(COC)COC
InChIInChI=1S/C11H19NO4/c1-4-8-5-10(13)11(14)12(8)9(6-15-2)7-16-3/h5,8-9,13H,4,6-7H2,1-3H3
InChIKeyLPVJBUWTVQQEPI-UHFFFAOYSA-N
XLogP0.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one (CID 175699767) is 1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one is CCC1C=C(O)C(=O)N1C(COC)COC.
What is the InChIKey of 1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is LPVJBUWTVQQEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-8-5-10(13)11(14)12(8)9(6-15-2)7-16-3/h5,8-9,13H,4,6-7H2,1-3H3.
What are the key properties of 1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one?
1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 229.28 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethoxypropan-2-yl)-2-ethyl-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 175699767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).