1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione

C10H11NO2 — CID 18406754

IUPAC1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1=CCCC=C1
InChIInChI=1S/C10H11NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2
InChIKeyOYKNJTXQDQFSQR-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.37
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione

1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione (PubChem CID 18406754) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione
PubChem CID18406754
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C1=CCCC=C1
InChIInChI=1S/C10H11NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2
InChIKeyOYKNJTXQDQFSQR-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 134862772
CID 134862772
N-(4-sulfonylphenyl)succinimide
CID 170458437
1-(3-Azidocyclohexa-1,3-dien-1-yl)pyrrolidine-2,5-dione
CID 18374258
1-Cyclohexa-1,5-dien-1-ylpyrrolidin-2-one
CID 18406759
(7Z,9Z,11Z)-4-azatricyclo[5.5.1.04,13]trideca-1(13),7,9,11-tetraene-3,5-dione
CID 20229470
1-(Cyclohexen-1-yl)pyrrolidine-2,5-dione
CID 67628585
(4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one
CID 88944632
1-[4-(2-Methylidene-5-oxopyrrolidin-1-yl)cyclohexa-1,3-dien-1-yl]pyrrole-2,5-dione
CID 89284656
(3E,4E)-3,4-di(ethylidene)-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrrolidine-2,5-dione
CID 129267324
2-[(2Z,4Z)-4-methylhepta-2,4,6-trien-3-yl]-3a,7a-dihydroisoindole-1,3-dione
CID 130418101
cycloocta[gh]pyrrolizine-2,4-(1H, 5H)-dione
CID 131714479
(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione
CID 138574886

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione (CID 18406754) is 1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione is O=C1CCC(=O)N1C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione?
The InChIKey is OYKNJTXQDQFSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione?
1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione has a molecular weight of 177.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 18406754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).