5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione

C22H15NO5 — CID 19904839

IUPAC5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(Cc1c(C)c3ccc(=O)oc3c3ccoc13)C2=O
InChIInChI=1S/C22H15NO5/c1-11-3-4-14-16(9-11)22(26)23(21(14)25)10-17-12(2)13-5-6-18(24)28-20(13)15-7-8-27-19(15)17/h3-9H,10H2,1-2H3
InChIKeyGZCIULZKECTYAY-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.95
Rot. Bonds2

About 5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione

5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione (PubChem CID 19904839) has the molecular formula C22H15NO5 and a molecular weight of 373.36 g/mol. Its IUPAC name is 5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione
PubChem CID19904839
Molecular FormulaC22H15NO5
Molecular Weight373.36 g/mol
Exact Mass373.10
IUPAC Name5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(Cc1c(C)c3ccc(=O)oc3c3ccoc13)C2=O
InChIInChI=1S/C22H15NO5/c1-11-3-4-14-16(9-11)22(26)23(21(14)25)10-17-12(2)13-5-6-18(24)28-20(13)15-7-8-27-19(15)17/h3-9H,10H2,1-2H3
InChIKeyGZCIULZKECTYAY-UHFFFAOYSA-N
XLogP3.95
TPSA80.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.95
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'}

Analyze 5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione
CID 13436377
5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 142829685
2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione
CID 61018720
2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione
CID 18421403
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292
2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione
CID 18421421
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
CID 144533118
CID 144533118
5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
CID 23733624
2-(2-hydroxybutyl)-5-methylisoindole-1,3-dione
CID 113492803
2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione
CID 106146406
5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione
CID 62664853

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione (CID 19904839) is 5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(Cc1c(C)c3ccc(=O)oc3c3ccoc13)C2=O.
What is the InChIKey of 5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione?
The InChIKey is GZCIULZKECTYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO5/c1-11-3-4-14-16(9-11)22(26)23(21(14)25)10-17-12(2)13-5-6-18(24)28-20(13)15-7-8-27-19(15)17/h3-9H,10H2,1-2H3.
What are the key properties of 5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione?
5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione has a molecular weight of 373.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 19904839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).