(1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C19H14BrNO4 — CID 2023388

IUPAC(1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1
InChIInChI=1S/C19H14BrNO4/c1-21-16(10-3-6-12(24-2)7-4-10)15-17(22)13-9-11(20)5-8-14(13)25-18(15)19(21)23/h3-9,16H,1-2H3/t16-/m1/s1
InChIKeyOJIUZOMEKRACRG-MRXNPFEDSA-N
MW400.23 g/mol
LogP3.74
Rot. Bonds2

About (1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2023388) has the molecular formula C19H14BrNO4 and a molecular weight of 400.23 g/mol. Its IUPAC name is (1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2023388
Molecular FormulaC19H14BrNO4
Molecular Weight400.23 g/mol
Exact Mass399.01
IUPAC Name(1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1
InChIInChI=1S/C19H14BrNO4/c1-21-16(10-3-6-12(24-2)7-4-10)15-17(22)13-9-11(20)5-8-14(13)25-18(15)19(21)23/h3-9,16H,1-2H3/t16-/m1/s1
InChIKeyOJIUZOMEKRACRG-MRXNPFEDSA-N
XLogP3.74
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-methyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879727
7-bromo-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5153026
7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854856
7-bromo-1-(4-methoxyphenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854854
7-bromo-1-(4-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4902958
7-bromo-1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820393
7-bromo-1-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820399
7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879753
2-(4-bromophenyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857846
2-(4-bromophenyl)-7-chloro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853487
(1R)-7-bromo-2-methyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40540359
7-bromo-2-[2-(4-methoxyphenyl)ethyl]-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820396

Frequently Asked Questions

What is the IUPAC name of (1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2023388) is (1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1.
What is the InChIKey of (1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OJIUZOMEKRACRG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H14BrNO4/c1-21-16(10-3-6-12(24-2)7-4-10)15-17(22)13-9-11(20)5-8-14(13)25-18(15)19(21)23/h3-9,16H,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 400.23 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2023388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).