3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one

C19H15NO2 — CID 77237274

IUPAC3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one
SMILESCc1cccc2c1c(C=C1OC(=O)c3ccccc31)cn2C
InChIInChI=1S/C19H15NO2/c1-12-6-5-9-16-18(12)13(11-20(16)2)10-17-14-7-3-4-8-15(14)19(21)22-17/h3-11H,1-2H3
InChIKeyCUCGBRBSNYJORX-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.16
Rot. Bonds1

About 3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one

3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one (PubChem CID 77237274) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one
PubChem CID77237274
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one
SMILESCc1cccc2c1c(C=C1OC(=O)c3ccccc31)cn2C
InChIInChI=1S/C19H15NO2/c1-12-6-5-9-16-18(12)13(11-20(16)2)10-17-14-7-3-4-8-15(14)19(21)22-17/h3-11H,1-2H3
InChIKeyCUCGBRBSNYJORX-UHFFFAOYSA-N
XLogP4.16
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-5-bromo-2-[(1-methyl-4-phenylindol-3-yl)methylidene]-1-benzofuran-3-one
CID 69003261
4,6-dihydroxy-2-[(1-methyl-4-phenylindol-3-yl)methylidene]-1-benzofuran-3-one
CID 67028526
2-[[1-methyl-4-(4-propan-2-yloxyphenyl)indol-3-yl]methylidene]-1-benzofuran-3-one
CID 90873177
(3Z)-3-[(2-bromophenyl)methylidene]-2-benzofuran-1-one
CID 6508933
1,4-dimethylindol-3-amine
CID 89174209
(3E)-3-[[2-(2-oxopropyl)phenyl]methylidene]-2-benzofuran-1-one
CID 99902055
2-(1,4-dimethylindol-3-yl)acetaldehyde
CID 117194756
6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
CID 53411431
1,5-dimethylquinolin-4-one
CID 138533371
1-(1,4-dimethylindol-3-yl)ethanone
CID 82655711
(3Z)-3-[(4-bromonaphthalen-1-yl)methylidene]-2-benzofuran-1-one
CID 2238107
3-[(4-tert-butylphenyl)methylidene]-2-benzofuran-1-one
CID 156772308

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one?
The IUPAC name of 3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one (CID 77237274) is 3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for 3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for 3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one is Cc1cccc2c1c(C=C1OC(=O)c3ccccc31)cn2C.
What is the InChIKey of 3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one?
The InChIKey is CUCGBRBSNYJORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-12-6-5-9-16-18(12)13(11-20(16)2)10-17-14-7-3-4-8-15(14)19(21)22-17/h3-11H,1-2H3.
What are the key properties of 3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one?
3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one has a molecular weight of 289.33 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylindol-3-yl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 77237274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).