6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H23NO4 — CID 18856951

IUPAC6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)c1
InChIInChI=1S/C28H23NO4/c1-4-13-32-21-12-8-9-19(16-21)25-24-26(30)22-14-17(2)18(3)15-23(22)33-27(24)28(31)29(25)20-10-6-5-7-11-20/h4-12,14-16,25H,1,13H2,2-3H3
InChIKeyRJFLVSFMEZIYIT-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.72
Rot. Bonds5

About 6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856951) has the molecular formula C28H23NO4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856951
Molecular FormulaC28H23NO4
Molecular Weight437.50 g/mol
Exact Mass437.16
IUPAC Name6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)c1
InChIInChI=1S/C28H23NO4/c1-4-13-32-21-12-8-9-19(16-21)25-24-26(30)22-14-17(2)18(3)15-23(22)33-27(24)28(31)29(25)20-10-6-5-7-11-20/h4-12,14-16,25H,1,13H2,2-3H3
InChIKeyRJFLVSFMEZIYIT-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)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856954
2-(4-acetylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856964
6,7-dimethyl-1-(3-pentoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857022
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-methyl-2-pyridinyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819888
6,7-dimethyl-2-(4-methylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856722
7-methyl-2-phenyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857718
7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853600
1-(3-butoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856983
2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810927
2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820472
6,7-dimethyl-1-(3-phenylmethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857011

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856951) is 6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccc2)c1.
What is the InChIKey of 6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RJFLVSFMEZIYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO4/c1-4-13-32-21-12-8-9-19(16-21)25-24-26(30)22-14-17(2)18(3)15-23(22)33-27(24)28(31)29(25)20-10-6-5-7-11-20/h4-12,14-16,25H,1,13H2,2-3H3.
What are the key properties of 6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-2-phenyl-1-(3-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 6,7-dimethyl-2-phenyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).