2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H23NO4 — CID 18852366

IUPAC2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C28H23NO4/c1-4-15-32-21-13-10-19(11-14-21)25-24-26(30)22-7-5-6-8-23(22)33-27(24)28(31)29(25)20-12-9-17(2)18(3)16-20/h4-14,16,25H,1,15H2,2-3H3
InChIKeyNHFKWXWAWGVIIE-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.72
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852366) has the molecular formula C28H23NO4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852366
Molecular FormulaC28H23NO4
Molecular Weight437.50 g/mol
Exact Mass437.16
IUPAC Name2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C28H23NO4/c1-4-15-32-21-13-10-19(11-14-21)25-24-26(30)22-7-5-6-8-23(22)33-27(24)28(31)29(25)20-12-9-17(2)18(3)16-20/h4-14,16,25H,1,15H2,2-3H3
InChIKeyNHFKWXWAWGVIIE-UHFFFAOYSA-N
XLogP5.72
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852598
6,7-dimethyl-2-(4-methylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856722
2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856954
7-methyl-2-phenyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857718
1-(4-tert-butylphenyl)-2-(3,4-dimethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852187
2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856510
2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852605
2-(3,4-dimethylphenyl)-7-methyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857686
2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2948130
2-(3,4-dimethylphenyl)-7-fluoro-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855688
6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856951
2-(4-methylphenyl)-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852453

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852366) is 2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NHFKWXWAWGVIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO4/c1-4-15-32-21-13-10-19(11-14-21)25-24-26(30)22-7-5-6-8-23(22)33-27(24)28(31)29(25)20-12-9-17(2)18(3)16-20/h4-14,16,25H,1,15H2,2-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 437.50 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).