3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione

C22H28N2O4 — CID 110577084

IUPAC3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(OCCC)cc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C22H28N2O4/c1-5-11-24-21(25)19(17-7-9-18(10-8-17)27-12-6-2)20(22(24)26)23-13-15(3)28-16(4)14-23/h5,7-10,15-16H,1,6,11-14H2,2-4H3
InChIKeyRAULQQMSKBJMCO-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.85
Rot. Bonds7

About 3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110577084) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110577084
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(OCCC)cc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C22H28N2O4/c1-5-11-24-21(25)19(17-7-9-18(10-8-17)27-12-6-2)20(22(24)26)23-13-15(3)28-16(4)14-23/h5,7-10,15-16H,1,6,11-14H2,2-4H3
InChIKeyRAULQQMSKBJMCO-UHFFFAOYSA-N
XLogP2.85
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-butoxypropyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577119
3-(3,4-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enylpyrrole-2,5-dione
CID 110564507
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577092
3-(4-ethoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-prop-2-enylpyrrole-2,5-dione
CID 110547043
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577082
3-hydroxy-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582399
3-(2,6-dimethylmorpholin-4-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575199
3-(3,5-dimethylpiperidin-1-yl)-1-octyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577178
3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110546954
1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569559
3-(2,6-dimethylmorpholin-4-yl)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573721
3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575276

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione (CID 110577084) is 3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione is C=CCN1C(=O)C(c2ccc(OCCC)cc2)=C(N2CC(C)OC(C)C2)C1=O.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is RAULQQMSKBJMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-11-24-21(25)19(17-7-9-18(10-8-17)27-12-6-2)20(22(24)26)23-13-15(3)28-16(4)14-23/h5,7-10,15-16H,1,6,11-14H2,2-4H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 384.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110577084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).