[1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate

C8H11NO5 — CID 153380625

IUPAC[1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate
SMILESCOCC1=CC(=O)N(O)C1OC(C)=O
InChIInChI=1S/C8H11NO5/c1-5(10)14-8-6(4-13-2)3-7(11)9(8)12/h3,8,12H,4H2,1-2H3
InChIKeyBFUYPOGDNIYIHC-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.32
Rot. Bonds3

About [1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate

[1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate (PubChem CID 153380625) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is [1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate.

Molecular Properties

Compound Name[1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate
PubChem CID153380625
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name[1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate
SMILESCOCC1=CC(=O)N(O)C1OC(C)=O
InChIInChI=1S/C8H11NO5/c1-5(10)14-8-6(4-13-2)3-7(11)9(8)12/h3,8,12H,4H2,1-2H3
InChIKeyBFUYPOGDNIYIHC-UHFFFAOYSA-N
XLogP-0.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

(3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) acetate
CID 135170488
benzyl (1-hydroxy-3-methyl-5-oxo-2H-pyrrol-2-yl) carbonate
CID 146290050
methoxymethylbenzene;methyl acetate
CID 54330728
[(2R,3R,4R)-2,4-diacetyloxy-1-benzyl-5-oxopyrrolidin-3-yl] acetate
CID 24827233
[(3R,4R)-4-acetyloxy-1-(2-hydroxyethyl)-2,5-dioxopyrrolidin-3-yl] acetate
CID 11507170
[3-methyl-5-oxo-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-2-yl] acetate
CID 135164349
[1-(2-methoxyethyl)-2-oxo-6-phenylazepan-3-yl] acetate
CID 69484451
methyl (2S,4S)-4-acetyloxy-1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 11312347
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
(2-methyl-4-oxocyclohex-2-en-1-yl) acetate
CID 10986648
(1-acetyl-3-ethyl-4-oxoazetidin-2-yl) acetate
CID 14543795
[(1R,2S,3R,4S,5R,6S)-5-acetyloxy-7,8-dimethyl-3,4-bis(phenylmethoxy)-7,8-diazabicyclo[4.2.2]dec-9-en-2-yl] acetate
CID 15527452

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate?
The IUPAC name of [1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate (CID 153380625) is [1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate.
What is the SMILES notation for [1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate?
The canonical SMILES for [1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate is COCC1=CC(=O)N(O)C1OC(C)=O.
What is the InChIKey of [1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate?
The InChIKey is BFUYPOGDNIYIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-5(10)14-8-6(4-13-2)3-7(11)9(8)12/h3,8,12H,4H2,1-2H3.
What are the key properties of [1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate?
[1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate has a molecular weight of 201.18 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate is sourced from PubChem (CID 153380625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).