1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione

C16H18N2O3 — CID 110559416

IUPAC1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccccc2)=C(N2CCOCC2)C1=O
InChIInChI=1S/C16H18N2O3/c1-2-18-15(19)13(12-6-4-3-5-7-12)14(16(18)20)17-8-10-21-11-9-17/h3-7H,2,8-11H2,1H3
InChIKeyXYQSDWNLWVWSCR-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.12
Rot. Bonds3

About 1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione

1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (PubChem CID 110559416) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
PubChem CID110559416
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESCCN1C(=O)C(c2ccccc2)=C(N2CCOCC2)C1=O
InChIInChI=1S/C16H18N2O3/c1-2-18-15(19)13(12-6-4-3-5-7-12)14(16(18)20)17-8-10-21-11-9-17/h3-7H,2,8-11H2,1H3
InChIKeyXYQSDWNLWVWSCR-UHFFFAOYSA-N
XLogP1.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.12
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

3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546616
1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559521
N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562653
3-(4-methylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560151
1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565875
3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110559143
1-benzyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546476
1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559262
3-(3,5-dimethylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560153
1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110558522
1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559340
1-benzyl-3-morpholin-4-yl-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541206

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (CID 110559416) is 1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione is CCN1C(=O)C(c2ccccc2)=C(N2CCOCC2)C1=O.
What is the InChIKey of 1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The InChIKey is XYQSDWNLWVWSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-18-15(19)13(12-6-4-3-5-7-12)14(16(18)20)17-8-10-21-11-9-17/h3-7H,2,8-11H2,1H3.
What are the key properties of 1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione has a molecular weight of 286.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110559416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).