2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one

C11H19NO4 — CID 129147685

IUPAC2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one
SMILESCOCC(C)OCC(C)N1C(=O)C=CC1O
InChIInChI=1S/C11H19NO4/c1-8(6-16-9(2)7-15-3)12-10(13)4-5-11(12)14/h4-5,8-10,13H,6-7H2,1-3H3
InChIKeyWDBVVCJQCRVMEE-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.14
Rot. Bonds6

About 2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one

2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one (PubChem CID 129147685) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one
PubChem CID129147685
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one
SMILESCOCC(C)OCC(C)N1C(=O)C=CC1O
InChIInChI=1S/C11H19NO4/c1-8(6-16-9(2)7-15-3)12-10(13)4-5-11(12)14/h4-5,8-10,13H,6-7H2,1-3H3
InChIKeyWDBVVCJQCRVMEE-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one (CID 129147685) is 2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one is COCC(C)OCC(C)N1C(=O)C=CC1O.
What is the InChIKey of 2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one?
The InChIKey is WDBVVCJQCRVMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(6-16-9(2)7-15-3)12-10(13)4-5-11(12)14/h4-5,8-10,13H,6-7H2,1-3H3.
What are the key properties of 2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one?
2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one has a molecular weight of 229.28 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[1-(1-methoxypropan-2-yloxy)propan-2-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 129147685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).