2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C20H17NO4 — CID 5136139

IUPAC2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(OC)cc1
InChIInChI=1S/C20H17NO4/c1-3-21-17(12-8-10-13(24-2)11-9-12)16-18(22)14-6-4-5-7-15(14)25-19(16)20(21)23/h4-11,17H,3H2,1-2H3
InChIKeyAQMMNOKCTJWTOV-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.37
Rot. Bonds3

About 2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 5136139) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID5136139
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(OC)cc1
InChIInChI=1S/C20H17NO4/c1-3-21-17(12-8-10-13(24-2)11-9-12)16-18(22)14-6-4-5-7-15(14)25-19(16)20(21)23/h4-11,17H,3H2,1-2H3
InChIKeyAQMMNOKCTJWTOV-UHFFFAOYSA-N
XLogP3.37
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3264262
(1R)-1-(4-bromophenyl)-2-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871956
2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113960
1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4986790
2-ethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3419469
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3957445
(1S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034433
(1R)-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008057
1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5168164
1-(4-ethoxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809567
1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113855
(1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40872018

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 5136139) is 2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is AQMMNOKCTJWTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-3-21-17(12-8-10-13(24-2)11-9-12)16-18(22)14-6-4-5-7-15(14)25-19(16)20(21)23/h4-11,17H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 335.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 5136139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).