(5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one

C23H22ClNO5 — CID 102127922

IUPAC(5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(C=C/C(=C\c3ccc(Cl)cc3)O2)c2c1cc(OC)c(OC)c2OC
InChIInChI=1S/C23H22ClNO5/c1-5-25-17-13-18(27-2)20(28-3)21(29-4)19(17)23(22(25)26)11-10-16(30-23)12-14-6-8-15(24)9-7-14/h6-13H,5H2,1-4H3/b16-12+
InChIKeyUQCQORYEVXGFFA-FOWTUZBSSA-N
MW427.88 g/mol
LogP4.56
Rot. Bonds5

About (5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one

(5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one (PubChem CID 102127922) has the molecular formula C23H22ClNO5 and a molecular weight of 427.88 g/mol. Its IUPAC name is (5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one
PubChem CID102127922
Molecular FormulaC23H22ClNO5
Molecular Weight427.88 g/mol
Exact Mass427.12
IUPAC Name(5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(C=C/C(=C\c3ccc(Cl)cc3)O2)c2c1cc(OC)c(OC)c2OC
InChIInChI=1S/C23H22ClNO5/c1-5-25-17-13-18(27-2)20(28-3)21(29-4)19(17)23(22(25)26)11-10-16(30-23)12-14-6-8-15(24)9-7-14/h6-13H,5H2,1-4H3/b16-12+
InChIKeyUQCQORYEVXGFFA-FOWTUZBSSA-N
XLogP4.56
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.88
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one?
The IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one (CID 102127922) is (5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one.
What is the SMILES notation for (5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one?
The canonical SMILES for (5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one is CCN1C(=O)C2(C=C/C(=C\c3ccc(Cl)cc3)O2)c2c1cc(OC)c(OC)c2OC.
What is the InChIKey of (5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one?
The InChIKey is UQCQORYEVXGFFA-FOWTUZBSSA-N. The full InChI is InChI=1S/C23H22ClNO5/c1-5-25-17-13-18(27-2)20(28-3)21(29-4)19(17)23(22(25)26)11-10-16(30-23)12-14-6-8-15(24)9-7-14/h6-13H,5H2,1-4H3/b16-12+.
What are the key properties of (5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one?
(5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one has a molecular weight of 427.88 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one is sourced from PubChem (CID 102127922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).