1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione

C11H11NO5 — CID 70623858

IUPAC1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione
SMILESC=CC(=O)C=C(C)C(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C11H11NO5/c1-3-7(13)4-6(2)10(15)8-5-9(14)12(17)11(8)16/h3-4,8,17H,1,5H2,2H3
InChIKeyZUVNILARCBYDNW-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.02
Rot. Bonds4

About 1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione

1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione (PubChem CID 70623858) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione
PubChem CID70623858
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione
SMILESC=CC(=O)C=C(C)C(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C11H11NO5/c1-3-7(13)4-6(2)10(15)8-5-9(14)12(17)11(8)16/h3-4,8,17H,1,5H2,2H3
InChIKeyZUVNILARCBYDNW-UHFFFAOYSA-N
XLogP0.02
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione (CID 70623858) is 1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione is C=CC(=O)C=C(C)C(=O)C1CC(=O)N(O)C1=O.
What is the InChIKey of 1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione?
The InChIKey is ZUVNILARCBYDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-3-7(13)4-6(2)10(15)8-5-9(14)12(17)11(8)16/h3-4,8,17H,1,5H2,2H3.
What are the key properties of 1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione?
1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione has a molecular weight of 237.21 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(2-methyl-4-oxohexa-2,5-dienoyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 70623858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).