2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one

C7H11NO3 — CID 146290040

IUPAC2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one
SMILESCOCC1=CC(=O)N(C)C1O
InChIInChI=1S/C7H11NO3/c1-8-6(9)3-5(4-11-2)7(8)10/h3,7,10H,4H2,1-2H3
InChIKeyLCANAARVVHLEFD-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.65
Rot. Bonds2

About 2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one

2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one (PubChem CID 146290040) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one
PubChem CID146290040
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one
SMILESCOCC1=CC(=O)N(C)C1O
InChIInChI=1S/C7H11NO3/c1-8-6(9)3-5(4-11-2)7(8)10/h3,7,10H,4H2,1-2H3
InChIKeyLCANAARVVHLEFD-UHFFFAOYSA-N
XLogP-0.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one (CID 146290040) is 2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one is COCC1=CC(=O)N(C)C1O.
What is the InChIKey of 2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one?
The InChIKey is LCANAARVVHLEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-8-6(9)3-5(4-11-2)7(8)10/h3,7,10H,4H2,1-2H3.
What are the key properties of 2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one?
2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one has a molecular weight of 157.17 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(methoxymethyl)-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 146290040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).