1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione

C8H9NO4 — CID 67329959

IUPAC1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
SMILESC=C(C)C(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C8H9NO4/c1-4(2)7(11)5-3-6(10)9(13)8(5)12/h5,13H,1,3H2,2H3
InChIKeyAMSMIFRLJLAQGK-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.10
Rot. Bonds2

About 1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione

1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione (PubChem CID 67329959) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
PubChem CID67329959
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
SMILESC=C(C)C(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C8H9NO4/c1-4(2)7(11)5-3-6(10)9(13)8(5)12/h5,13H,1,3H2,2H3
InChIKeyAMSMIFRLJLAQGK-UHFFFAOYSA-N
XLogP-0.10
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-propanoylpyrrolidine-2,5-dione
CID 18938729
S-[2-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)-2-oxoethyl] ethanethioate
CID 141166445
(1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate
CID 139300005
3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67066617
3-(2-amino-3-hydroxypropanoyl)-1-hydroxypyrrolidine-2,5-dione
CID 174888139
3-(2,3-dibromopropanoyl)-1-hydroxypyrrolidine-2,5-dione
CID 141371794
1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid
CID 19876379
(3S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]pyrrolidine-2,5-dione
CID 70321827
3-[(2S)-2-amino-3-phenylpropanoyl]-1-hydroxypyrrolidine-2,5-dione
CID 154062584
1-[6-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)-6-oxohexyl]pyrrole-2,5-dione
CID 22629903
3-benzoyl-1-hydroxypyrrolidine-2,5-dione;bis(pyrrole-2,5-dione)
CID 174708044
tert-butyl N-[2-[[2-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 68993020

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione (CID 67329959) is 1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione is C=C(C)C(=O)C1CC(=O)N(O)C1=O.
What is the InChIKey of 1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione?
The InChIKey is AMSMIFRLJLAQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-4(2)7(11)5-3-6(10)9(13)8(5)12/h5,13H,1,3H2,2H3.
What are the key properties of 1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione?
1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione has a molecular weight of 183.16 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 67329959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).