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

C28H25NO6 — CID 18880935

IUPAC2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C28H25NO6/c1-5-10-34-21-9-8-18(14-22(21)32-4)24-23-25(30)20-13-16(2)12-17(3)26(20)35-27(23)28(31)29(24)15-19-7-6-11-33-19/h5-9,11-14,24H,1,10,15H2,2-4H3
InChIKeyIVYOYHOADKLCLJ-UHFFFAOYSA-N
MW471.51 g/mol
LogP5.32
Rot. Bonds7

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

2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880935) has the molecular formula C28H25NO6 and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18880935
Molecular FormulaC28H25NO6
Molecular Weight471.51 g/mol
Exact Mass471.17
IUPAC Name2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C28H25NO6/c1-5-10-34-21-9-8-18(14-22(21)32-4)24-23-25(30)20-13-16(2)12-17(3)26(20)35-27(23)28(31)29(24)15-19-7-6-11-33-19/h5-9,11-14,24H,1,10,15H2,2-4H3
InChIKeyIVYOYHOADKLCLJ-UHFFFAOYSA-N
XLogP5.32
TPSA82.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40870877
2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880912
2-(furan-2-ylmethyl)-1-(4-hexoxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880936
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
(1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2010034
2-benzyl-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880950
7-bromo-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820358
7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882494
(1S)-1-(3,4-dimethoxyphenyl)-5,7-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2033196
2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820472
1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130873
2-(3-hydroxypropyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880574

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 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) is 2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC.
What is the InChIKey of 2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IVYOYHOADKLCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO6/c1-5-10-34-21-9-8-18(14-22(21)32-4)24-23-25(30)20-13-16(2)12-17(3)26(20)35-27(23)28(31)29(24)15-19-7-6-11-33-19/h5-9,11-14,24H,1,10,15H2,2-4H3.
What are the key properties of 2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 471.51 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).