1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione

C16H20N2O4 — CID 157383581

IUPAC1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C10H13NO2.C6H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-2-7-5(8)3-4-6(7)9/h6-8H,1-5H2;3-4H,2H2,1H3
InChIKeyBLDZPVVEDKRFJT-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.18
Rot. Bonds2

About 1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione

1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione (PubChem CID 157383581) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
PubChem CID157383581
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C10H13NO2.C6H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-2-7-5(8)3-4-6(7)9/h6-8H,1-5H2;3-4H,2H2,1H3
InChIKeyBLDZPVVEDKRFJT-UHFFFAOYSA-N
XLogP1.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.18
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

1-cyclobutylpyrrole-2,5-dione;1-cyclopropylpyrrole-2,5-dione
CID 159672189
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CID 18439097
1-cyclopentylpyrrole-2,5-dione;2-propyloxaziridin-3-one
CID 23033360
1-[[(13R)-8,13-bis(2,5-dioxopyrrol-1-yl)-17-methyl-3-bicyclo[16.1.0]nonadecanyl]methyl]pyrrole-2,5-dione
CID 154973997
1-(2-cyclohexylethyl)pyrrole-2,5-dione
CID 60920082
1-(1-propylpiperidin-4-yl)pyrrole-2,5-dione
CID 60976367
1-(2-cyclononylpropyl)pyrrole-2,5-dione
CID 123502903
1-ethylpyrrole-2,5-dione;methanediimine
CID 175097236
1-(4-chlorocyclohexyl)pyrrole-2,5-dione
CID 22988981
N-ethylethanamine;1-ethylpyrrole-2,5-dione
CID 19877873
1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione
CID 138493592
1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene
CID 24939025

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione?
The IUPAC name of 1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione (CID 157383581) is 1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione is CCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione?
The InChIKey is BLDZPVVEDKRFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C6H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-2-7-5(8)3-4-6(7)9/h6-8H,1-5H2;3-4H,2H2,1H3.
What are the key properties of 1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione?
1-cyclohexylpyrrole-2,5-dione;1-ethylpyrrole-2,5-dione has a molecular weight of 304.35 g/mol, XLogP of 1.18, 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-ethylpyrrole-2,5-dione is sourced from PubChem (CID 157383581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).