1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C24H23NO5 — CID 19130918

IUPAC1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2NC(=O)c3oc4cc(C)cc(C)c4c(=O)c32)cc1OCC
InChIInChI=1S/C24H23NO5/c1-5-9-29-16-8-7-15(12-17(16)28-6-2)21-20-22(26)19-14(4)10-13(3)11-18(19)30-23(20)24(27)25-21/h5,7-8,10-12,21H,1,6,9H2,2-4H3,(H,25,27)
InChIKeyDBZDHFPHOYQTOD-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.21
Rot. Bonds6

About 1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130918) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130918
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2NC(=O)c3oc4cc(C)cc(C)c4c(=O)c32)cc1OCC
InChIInChI=1S/C24H23NO5/c1-5-9-29-16-8-7-15(12-17(16)28-6-2)21-20-22(26)19-14(4)10-13(3)11-18(19)30-23(20)24(27)25-21/h5,7-8,10-12,21H,1,6,9H2,2-4H3,(H,25,27)
InChIKeyDBZDHFPHOYQTOD-UHFFFAOYSA-N
XLogP4.21
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130889
1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130873
1-(4-hydroxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130886
1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109012
1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890732
7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130613
1-(3,4-diethoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108964
1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130381
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130607
1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-7-ethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130661
2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109058
1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130848

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130918) is 1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2NC(=O)c3oc4cc(C)cc(C)c4c(=O)c32)cc1OCC.
What is the InChIKey of 1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DBZDHFPHOYQTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-5-9-29-16-8-7-15(12-17(16)28-6-2)21-20-22(26)19-14(4)10-13(3)11-18(19)30-23(20)24(27)25-21/h5,7-8,10-12,21H,1,6,9H2,2-4H3,(H,25,27).
What are the key properties of 1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 405.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).