(1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H19NO5 — CID 40851037

IUPAC(1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(O)c1
InChIInChI=1S/C21H19NO5/c1-12-6-7-16-15(10-12)19(24)17-18(13-4-3-5-14(23)11-13)22(8-9-26-2)21(25)20(17)27-16/h3-7,10-11,18,23H,8-9H2,1-2H3/t18-/m0/s1
InChIKeyNWYKOQYGPIIAEP-SFHVURJKSA-N
MW365.39 g/mol
LogP3.00
Rot. Bonds4

About (1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40851037) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is (1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40851037
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name(1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(O)c1
InChIInChI=1S/C21H19NO5/c1-12-6-7-16-15(10-12)19(24)17-18(13-4-3-5-14(23)11-13)22(8-9-26-2)21(25)20(17)27-16/h3-7,10-11,18,23H,8-9H2,1-2H3/t18-/m0/s1
InChIKeyNWYKOQYGPIIAEP-SFHVURJKSA-N
XLogP3.00
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851040
1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709263
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40722140
1-(4-ethylphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706071
(1R)-2-(2-methoxyethyl)-7-methyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851029
7-chloro-1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706113
1-(4-butoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706079
1-(3-hydroxyphenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4704912
1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706096
7-bromo-1-(3-hydroxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820383
7-chloro-2-[2-(dimethylamino)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705831
(1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316000

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40851037) is (1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(O)c1.
What is the InChIKey of (1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NWYKOQYGPIIAEP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19NO5/c1-12-6-7-16-15(10-12)19(24)17-18(13-4-3-5-14(23)11-13)22(8-9-26-2)21(25)20(17)27-16/h3-7,10-11,18,23H,8-9H2,1-2H3/t18-/m0/s1.
What are the key properties of (1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 365.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40851037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).