(1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate

C8H9NO5 — CID 139300005

IUPAC(1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(=O)N(O)C1=O
InChIInChI=1S/C8H9NO5/c1-4(2)8(12)14-5-3-6(10)9(13)7(5)11/h5,13H,1,3H2,2H3
InChIKeyXLRZDZRJRDRGLU-UHFFFAOYSA-N
MW199.16 g/mol
LogP-0.38
Rot. Bonds2

About (1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate

(1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate (PubChem CID 139300005) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is (1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate
PubChem CID139300005
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name(1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(=O)N(O)C1=O
InChIInChI=1S/C8H9NO5/c1-4(2)8(12)14-5-3-6(10)9(13)7(5)11/h5,13H,1,3H2,2H3
InChIKeyXLRZDZRJRDRGLU-UHFFFAOYSA-N
XLogP-0.38
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67329959
(1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate
CID 70110092
[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate
CID 163747138
ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 143365262
CID 131848855
CID 131848855
(2-propan-2-ylidenecyclopentyl) 2-methylprop-2-enoate
CID 90261948
(1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-5-yl) 2-methylprop-2-enoate
CID 22168872
cyclopropanone;methyl 2-methylprop-2-enoate
CID 69017086
(7-oxo-6-propan-2-yl-6-azabicyclo[3.2.1]octan-4-yl) 2-methylprop-2-enoate
CID 66804203
1-hydroxy-3-phenoxypyrrolidine-2,5-dione
CID 149252640
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 2-methylprop-2-enoate
CID 18400373
(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate
CID 131854230

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate (CID 139300005) is (1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC(=O)N(O)C1=O.
What is the InChIKey of (1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate?
The InChIKey is XLRZDZRJRDRGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c1-4(2)8(12)14-5-3-6(10)9(13)7(5)11/h5,13H,1,3H2,2H3.
What are the key properties of (1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate?
(1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate has a molecular weight of 199.16 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 139300005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).