2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione

C23H17NO5 — CID 18421421

IUPAC2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione
SMILESCc1cc2cc3c(C)c(CN4C(=O)c5ccccc5C4=O)c(=O)oc3c(C)c2o1
InChIInChI=1S/C23H17NO5/c1-11-8-14-9-17-12(2)18(23(27)29-20(17)13(3)19(14)28-11)10-24-21(25)15-6-4-5-7-16(15)22(24)26/h4-9H,10H2,1-3H3
InChIKeyZLFNLQDBKCSNBG-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.26
Rot. Bonds2

About 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione

2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione (PubChem CID 18421421) has the molecular formula C23H17NO5 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione
PubChem CID18421421
Molecular FormulaC23H17NO5
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC Name2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione
SMILESCc1cc2cc3c(C)c(CN4C(=O)c5ccccc5C4=O)c(=O)oc3c(C)c2o1
InChIInChI=1S/C23H17NO5/c1-11-8-14-9-17-12(2)18(23(27)29-20(17)13(3)19(14)28-11)10-24-21(25)15-6-4-5-7-16(15)22(24)26/h4-9H,10H2,1-3H3
InChIKeyZLFNLQDBKCSNBG-UHFFFAOYSA-N
XLogP4.26
TPSA80.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.26
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 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2,6,7,9-tetramethylfuro[3,2-g]chromen-5-one
CID 11096784
2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione
CID 18421403
2-[(4-hydroxy-2-oxochromen-3-yl)methyl]isoindole-1,3-dione
CID 54676492
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
2-[[5-fluoro-7-(2-methylphenyl)-1-benzofuran-2-yl]methyl]isoindole-1,3-dione
CID 69221408
2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
CID 126720986
6-hexyl-3-(4-methoxyphenyl)-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 3737351
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 18147318
2-[(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
CID 1238236
5-methyl-2-[(5-methyl-2-oxofuro[2,3-h]chromen-6-yl)methyl]isoindole-1,3-dione
CID 19904839
2-[(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)methyl]isoindole-1,3-dione
CID 13436377
3-chloro-4,10-dimethylpyrano[3,2-g]chromene-2,8-dione
CID 15749397

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione (CID 18421421) is 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione is Cc1cc2cc3c(C)c(CN4C(=O)c5ccccc5C4=O)c(=O)oc3c(C)c2o1.
What is the InChIKey of 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione?
The InChIKey is ZLFNLQDBKCSNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO5/c1-11-8-14-9-17-12(2)18(23(27)29-20(17)13(3)19(14)28-11)10-24-21(25)15-6-4-5-7-16(15)22(24)26/h4-9H,10H2,1-3H3.
What are the key properties of 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione?
2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione has a molecular weight of 387.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 18421421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).