(2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one

C23H17NO2 — CID 58621794

IUPAC(2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCCn1c2ccccc2c2cc(/C=C3/Oc4ccccc4C3=O)ccc21
InChIInChI=1S/C23H17NO2/c1-2-24-19-9-5-3-7-16(19)18-13-15(11-12-20(18)24)14-22-23(25)17-8-4-6-10-21(17)26-22/h3-14H,2H2,1H3/b22-14+
InChIKeyDLHOZTOFIFIHHC-HYARGMPZSA-N
MW339.39 g/mol
LogP5.43
Rot. Bonds2

About (2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one

(2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one (PubChem CID 58621794) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one
PubChem CID58621794
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name(2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCCn1c2ccccc2c2cc(/C=C3/Oc4ccccc4C3=O)ccc21
InChIInChI=1S/C23H17NO2/c1-2-24-19-9-5-3-7-16(19)18-13-15(11-12-20(18)24)14-22-23(25)17-8-4-6-10-21(17)26-22/h3-14H,2H2,1H3/b22-14+
InChIKeyDLHOZTOFIFIHHC-HYARGMPZSA-N
XLogP5.43
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[[1-[9-ethyl-6-[(3-oxo-1-benzofuran-2-ylidene)methyl]carbazol-3-yl]-1-oxohexan-2-ylidene]amino] acetate
CID 76562826
2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one
CID 76840870
2-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 122398920
3-[(9-ethylcarbazol-3-yl)methylidene]-1H-indol-2-one
CID 69456553
(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-propylimino-1,3-oxazolidin-4-one
CID 59672435
(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one
CID 58958967
(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one
CID 177443194
(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 127256784
(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
CID 58785600
(2E)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 24762442
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
CID 79736980

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one (CID 58621794) is (2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one is CCn1c2ccccc2c2cc(/C=C3/Oc4ccccc4C3=O)ccc21.
What is the InChIKey of (2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is DLHOZTOFIFIHHC-HYARGMPZSA-N. The full InChI is InChI=1S/C23H17NO2/c1-2-24-19-9-5-3-7-16(19)18-13-15(11-12-20(18)24)14-22-23(25)17-8-4-6-10-21(17)26-22/h3-14H,2H2,1H3/b22-14+.
What are the key properties of (2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one?
(2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 339.39 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(9-ethylcarbazol-3-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 58621794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).