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

C23H22ClNO5 — CID 102127924

IUPAC(5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(C=C/C(=C\c3ccccc3Cl)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)11-10-15(30-23)12-14-8-6-7-9-16(14)24/h6-13H,5H2,1-4H3/b15-12+
InChIKeyIOMCZDOAFTVYKQ-NTCAYCPXSA-N
MW427.88 g/mol
LogP4.56
Rot. Bonds5

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

(5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one (PubChem CID 102127924) has the molecular formula C23H22ClNO5 and a molecular weight of 427.88 g/mol. Its IUPAC name is (5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one
PubChem CID102127924
Molecular FormulaC23H22ClNO5
Molecular Weight427.88 g/mol
Exact Mass427.12
IUPAC Name(5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(C=C/C(=C\c3ccccc3Cl)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)11-10-15(30-23)12-14-8-6-7-9-16(14)24/h6-13H,5H2,1-4H3/b15-12+
InChIKeyIOMCZDOAFTVYKQ-NTCAYCPXSA-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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Related Compounds

(5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one
CID 102127922
(5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one
CID 132584292
(5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one
CID 54761923
(5E)-5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126245208
(3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126204603
1-chloro-9-methoxyphenanthrene
CID 174558891
(5E)-5-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126179400
(2E,5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-3-ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844299
(5E)-5-[[3-[(2,6-dichlorophenoxy)methyl]-4-methoxyphenyl]methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 19545415
(3E)-3-[(2-chlorophenyl)methylidene]-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one
CID 118689456
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 46558741
(3R)-1-ethyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 26367748

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one?
The IUPAC name of (5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one (CID 102127924) is (5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one.
What is the SMILES notation for (5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one?
The canonical SMILES for (5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one is CCN1C(=O)C2(C=C/C(=C\c3ccccc3Cl)O2)c2c1cc(OC)c(OC)c2OC.
What is the InChIKey of (5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one?
The InChIKey is IOMCZDOAFTVYKQ-NTCAYCPXSA-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)11-10-15(30-23)12-14-8-6-7-9-16(14)24/h6-13H,5H2,1-4H3/b15-12+.
What are the key properties of (5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one?
(5E)-5-[(2-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-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one is sourced from PubChem (CID 102127924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).