(1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C19H15NO4 — CID 2037154

IUPAC(1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)NC3=O
InChIInChI=1S/C19H15NO4/c1-2-10-6-7-14-13(8-10)17(22)15-16(20-19(23)18(15)24-14)11-4-3-5-12(21)9-11/h3-9,16,21H,2H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyYKOMMPUPLSRXRW-INIZCTEOSA-N
MW321.33 g/mol
LogP2.89
Rot. Bonds2

About (1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

(1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2037154) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is (1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2037154
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name(1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)NC3=O
InChIInChI=1S/C19H15NO4/c1-2-10-6-7-14-13(8-10)17(22)15-16(20-19(23)18(15)24-14)11-4-3-5-12(21)9-11/h3-9,16,21H,2H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyYKOMMPUPLSRXRW-INIZCTEOSA-N
XLogP2.89
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130663
1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-7-ethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130661
7-fluoro-1-(4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4859307
7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130582
1-(3-bromophenyl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130725
7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854922
1-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130381
7-bromo-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130602
7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130475
7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130533
1-(4-butoxyphenyl)-7-fluoro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130534
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2033311

Frequently Asked Questions

What is the IUPAC name of (1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 2037154) is (1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)NC3=O.
What is the InChIKey of (1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YKOMMPUPLSRXRW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15NO4/c1-2-10-6-7-14-13(8-10)17(22)15-16(20-19(23)18(15)24-14)11-4-3-5-12(21)9-11/h3-9,16,21H,2H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 321.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2037154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).