3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione

C10H9NO2 — CID 19021935

IUPAC3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione
SMILESO=C1C=C(C2C=CC=CC2)C(=O)N1
InChIInChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H,11,12,13)
InChIKeyQUDMLGPOTFTQMK-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.70
Rot. Bonds1

About 3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione

3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione (PubChem CID 19021935) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione
PubChem CID19021935
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione
SMILESO=C1C=C(C2C=CC=CC2)C(=O)N1
InChIInChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H,11,12,13)
InChIKeyQUDMLGPOTFTQMK-UHFFFAOYSA-N
XLogP0.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methylene-phtalimide
CID 13706801
Cyclohexylmaleimide
CID 19810763
Propyl maleimide
CID 21880478
Dihydroisoquinolonone
CID 54259436
3-Cyclopropyl-1h-pyrrole-2,5-dione
CID 67625736
Sulfenylphthalimid
CID 88156523
4,5-Dihydro-1H-isoindole-1,3(2H)-dione
CID 171091
3-(1,3,4,6-Tetrafluorocyclohexa-2,4-dien-1-yl)pyrrole-2,5-dione
CID 139926984
N-[(E)-2-(2,4-difluoro-4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylcyclohexa-2,4-dien-1-yl)prop-2-enoyl]-2-methylidenepentanamide
CID 172275123
3-Butan-2-ylpyrrole-2,5-dione
CID 19910849
4-(oxomethylidene)-5H-isoindole-1,3-dione
CID 19927292
dihydro-1H-isoindole-1,3-dione
CID 22048132

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione (CID 19021935) is 3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione is O=C1C=C(C2C=CC=CC2)C(=O)N1.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione?
The InChIKey is QUDMLGPOTFTQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H,11,12,13).
What are the key properties of 3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione?
3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione has a molecular weight of 175.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 19021935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).