1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H19NO3 — CID 18879654

IUPAC1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)cc1
InChIInChI=1S/C21H19NO3/c1-4-13-6-8-14(9-7-13)18-17-19(23)15-11-12(2)5-10-16(15)25-20(17)21(24)22(18)3/h5-11,18H,4H2,1-3H3
InChIKeyLEIXILKQDYQBNQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.84
Rot. Bonds2

About 1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18879654) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18879654
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)cc1
InChIInChI=1S/C21H19NO3/c1-4-13-6-8-14(9-7-13)18-17-19(23)15-11-12(2)5-10-16(15)25-20(17)21(24)22(18)3/h5-11,18H,4H2,1-3H3
InChIKeyLEIXILKQDYQBNQ-UHFFFAOYSA-N
XLogP3.84
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-7-chloro-1-(4-ethylphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7388458
(1R)-1-(4-ethylphenyl)-2-(2-hydroxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42278621
1-(4-ethylphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706071
1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879656
(1S)-7-fluoro-2-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7735019
1-(4-ethylphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857644
methyl 4-(2,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 2988775
1-(4-bromophenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857462
1-(4-tert-butylphenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857552
(1R)-1-(3-fluorophenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7732572
1-(4-ethylphenyl)-7-methyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820088
(1S)-7-methyl-1-(4-methylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41201797

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18879654) is 1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LEIXILKQDYQBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-4-13-6-8-14(9-7-13)18-17-19(23)15-11-12(2)5-10-16(15)25-20(17)21(24)22(18)3/h5-11,18H,4H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 333.39 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18879654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).