1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione

C17H22N2O4 — CID 18324532

IUPAC1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C10H13NO2.C7H9NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-5(2)8-6(9)3-4-7(8)10/h6-8H,1-5H2;3-5H,1-2H3
InChIKeyGWBUGPVRIVXJJD-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.56
Rot. Bonds2

About 1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione

1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione (PubChem CID 18324532) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione
PubChem CID18324532
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C10H13NO2.C7H9NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-5(2)8-6(9)3-4-7(8)10/h6-8H,1-5H2;3-5H,1-2H3
InChIKeyGWBUGPVRIVXJJD-UHFFFAOYSA-N
XLogP1.56
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrrole-2,5-dione, 1-cyclohexyl-
CID 74203
1,6-Bismaleimidohexane
CID 20992
Mls002608660
CID 239578
1-Cyclododecyl-1h-pyrrole-2,5-dione
CID 282944
1,1'-(Dodecane-1,12-diyl)bis-1H-pyrrole-2,5-dione
CID 119659
Pentamethylenebismaleimide
CID 224410
1H-Pyrrole-2,5-dione, 1,1'-(1,7-heptanediyl)bis-
CID 573531
1H-Pyrrole-2,5-dione, 1,1'-(1,8-octanediyl)bis-
CID 573537
1-[9-(2,5-Dioxopyrrol-1-yl)nonyl]pyrrole-2,5-dione
CID 4189926
1-(1-Ethylpentyl)-1H-pyrrole-2,5-dione
CID 5154683
1-Hexan-2-ylpyrrole-2,5-dione
CID 12858662
1-[6-(2,5-Dioxopyrrol-1-yl)-7-methyloctyl]pyrrole-2,5-dione
CID 19847991

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione (CID 18324532) is 1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione is CC(C)N1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is GWBUGPVRIVXJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C7H9NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-5(2)8-6(9)3-4-7(8)10/h6-8H,1-5H2;3-5H,1-2H3.
What are the key properties of 1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione?
1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 318.37 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrrole-2,5-dione;1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 18324532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).