3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione

C22H19NO5 — CID 2941112

IUPAC3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione
SMILESCOc1cccc(CC2CC(=O)N(c3ccc4c(C)cc(=O)oc4c3)C2=O)c1
InChIInChI=1S/C22H19NO5/c1-13-8-21(25)28-19-12-16(6-7-18(13)19)23-20(24)11-15(22(23)26)9-14-4-3-5-17(10-14)27-2/h3-8,10,12,15H,9,11H2,1-2H3
InChIKeySXZFSVZQAKMZGP-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.23
Rot. Bonds4

About 3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione

3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione (PubChem CID 2941112) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione
PubChem CID2941112
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione
SMILESCOc1cccc(CC2CC(=O)N(c3ccc4c(C)cc(=O)oc4c3)C2=O)c1
InChIInChI=1S/C22H19NO5/c1-13-8-21(25)28-19-12-16(6-7-18(13)19)23-20(24)11-15(22(23)26)9-14-4-3-5-17(10-14)27-2/h3-8,10,12,15H,9,11H2,1-2H3
InChIKeySXZFSVZQAKMZGP-UHFFFAOYSA-N
XLogP3.23
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide
CID 122042
4-Methyl-7-(phenylacetamido)coumarin
CID 688125
7-Dimethylaminocyclopenta[c]coumarin
CID 100527
Tetramethylrhodamine-5-maleimide
CID 5289288
2-methoxy-N-(4-methyl-2-oxo-2H-chromen-7-yl)benzamide
CID 681811
3-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 1245453
3-(2-Methoxy-benzyl)-1-phenyl-pyrrolidine-2,5-dione
CID 2868945
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)phenyl acetate
CID 2888785
3-Benzyl-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione
CID 2941535
N-(4-methyl-2-oxo-2H-chromen-7-yl)-2-(2-methylphenyl)acetamide
CID 6469780
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
3-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate
CID 3119413

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione (CID 2941112) is 3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione is COc1cccc(CC2CC(=O)N(c3ccc4c(C)cc(=O)oc4c3)C2=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione?
The InChIKey is SXZFSVZQAKMZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-13-8-21(25)28-19-12-16(6-7-18(13)19)23-20(24)11-15(22(23)26)9-14-4-3-5-17(10-14)27-2/h3-8,10,12,15H,9,11H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione?
3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione has a molecular weight of 377.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2941112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).