6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H27NO4 — CID 4706785

IUPAC6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C30H27NO4/c1-4-16-34-23-12-10-22(11-13-23)27-26-28(32)24-17-19(2)20(3)18-25(24)35-29(26)30(33)31(27)15-14-21-8-6-5-7-9-21/h4-13,17-18,27H,1,14-16H2,2-3H3
InChIKeyCPSCEWXQKKFQMY-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.76
Rot. Bonds7

About 6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706785) has the molecular formula C30H27NO4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706785
Molecular FormulaC30H27NO4
Molecular Weight465.55 g/mol
Exact Mass465.19
IUPAC Name6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C30H27NO4/c1-4-16-34-23-12-10-22(11-13-23)27-26-28(32)24-17-19(2)20(3)18-25(24)35-29(26)30(33)31(27)15-14-21-8-6-5-7-9-21/h4-13,17-18,27H,1,14-16H2,2-3H3
InChIKeyCPSCEWXQKKFQMY-UHFFFAOYSA-N
XLogP5.76
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.76
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

6,7-dimethyl-1-(4-methylsulfanylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706814
1-(3-ethoxyphenyl)-6,7-dimethyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2954335
2-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4035612
6,7-dimethyl-2-(2-phenylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706796
6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706800
2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890904
6,7-dimethyl-2-(4-methylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856722
7-bromo-1-(4-ethoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3767517
7-chloro-2-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882705
(1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871849
1-(3-methoxy-4-pentoxyphenyl)-6,7-dimethyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706772
2-[4-[(1R)-2-benzyl-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 2212780

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706785) is 6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of 6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is CPSCEWXQKKFQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO4/c1-4-16-34-23-12-10-22(11-13-23)27-26-28(32)24-17-19(2)20(3)18-25(24)35-29(26)30(33)31(27)15-14-21-8-6-5-7-9-21/h4-13,17-18,27H,1,14-16H2,2-3H3.
What are the key properties of 6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 465.55 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(2-phenylethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).