1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C23H21NO5 — CID 19130873

IUPAC1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2NC(=O)c3oc4c(C)cc(C)cc4c(=O)c32)cc1OC
InChIInChI=1S/C23H21NO5/c1-5-8-28-16-7-6-14(11-17(16)27-4)19-18-20(25)15-10-12(2)9-13(3)21(15)29-22(18)23(26)24-19/h5-7,9-11,19H,1,8H2,2-4H3,(H,24,26)
InChIKeyXNELVQBOERIEFN-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.82
Rot. Bonds5

About 1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130873) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130873
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2NC(=O)c3oc4c(C)cc(C)cc4c(=O)c32)cc1OC
InChIInChI=1S/C23H21NO5/c1-5-8-28-16-7-6-14(11-17(16)27-4)19-18-20(25)15-10-12(2)9-13(3)21(15)29-22(18)23(26)24-19/h5-7,9-11,19H,1,8H2,2-4H3,(H,24,26)
InChIKeyXNELVQBOERIEFN-UHFFFAOYSA-N
XLogP3.82
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.82
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-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130848
7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130613
1-(3-ethoxy-4-prop-2-enoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130918
2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880935
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-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881262
5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130861
5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130805
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2033311
1-(3-methoxy-4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130376
7-fluoro-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130537
1-(4-butoxy-3-methoxyphenyl)-7-chloro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130488

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130873) is 1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2NC(=O)c3oc4c(C)cc(C)cc4c(=O)c32)cc1OC.
What is the InChIKey of 1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XNELVQBOERIEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-5-8-28-16-7-6-14(11-17(16)27-4)19-18-20(25)15-10-12(2)9-13(3)21(15)29-22(18)23(26)24-19/h5-7,9-11,19H,1,8H2,2-4H3,(H,24,26).
What are the key properties of 1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 391.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).