1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione

C18H24N2O4 — CID 67830323

IUPAC1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione
SMILESCC(C)(C)N1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C10H13NO2.C8H11NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-8(2,3)9-6(10)4-5-7(9)11/h6-8H,1-5H2;4-5H,1-3H3
InChIKeyHLIJIRCNIQDOHL-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.95
Rot. Bonds1

About 1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione

1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione (PubChem CID 67830323) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione
PubChem CID67830323
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione
SMILESCC(C)(C)N1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C10H13NO2.C8H11NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-8(2,3)9-6(10)4-5-7(9)11/h6-8H,1-5H2;4-5H,1-3H3
InChIKeyHLIJIRCNIQDOHL-UHFFFAOYSA-N
XLogP1.95
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Pyrrole-2,5-dione, 1-cyclohexyl-
CID 74203
1,6-Bismaleimidohexane
CID 20992
1-Cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione
CID 18324532
1-[6-(2,5-Dioxopyrrol-1-yl)-7-methyloctyl]pyrrole-2,5-dione
CID 19847991
1-[4-(2,5-Dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione
CID 19883770
3-Methyl-1-[4-(3-methyl-2,5-dioxopyrrol-1-yl)cyclohexyl]pyrrole-2,5-dione
CID 19968757
3-Methyl-1-[3-(3-methyl-2,5-dioxopyrrol-1-yl)cyclohexyl]pyrrole-2,5-dione
CID 19968766
1-[2-(2,5-Dioxopyrrol-1-yl)cyclohexyl]pyrrole-2,5-dione
CID 20265286
1-[3-(2,5-Dioxopyrrol-1-yl)hexyl]pyrrole-2,5-dione
CID 21807387
1,1'-(Hexane-1,6-diyl)bis(3-methyl-1H-pyrrole-2,5-dione)
CID 21909525
Cyclohexane;bis(1-methylpyrrole-2,5-dione)
CID 22365229
1-[3-(2,5-Dioxopyrrol-1-yl)cyclohexyl]pyrrole-2,5-dione
CID 22712663

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione?
The IUPAC name of 1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione (CID 67830323) is 1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione.
What is the SMILES notation for 1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione?
The canonical SMILES for 1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione is CC(C)(C)N1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1.
What is the InChIKey of 1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione?
The InChIKey is HLIJIRCNIQDOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C8H11NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-8(2,3)9-6(10)4-5-7(9)11/h6-8H,1-5H2;4-5H,1-3H3.
What are the key properties of 1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione?
1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione has a molecular weight of 332.40 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrrole-2,5-dione;1-cyclohexylpyrrole-2,5-dione is sourced from PubChem (CID 67830323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).