(5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one

C21H19NO3 — CID 132584292

IUPAC(5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(C=C/C(=C/c3ccccc3)O2)c2c(OC)cccc21
InChIInChI=1S/C21H19NO3/c1-3-22-17-10-7-11-18(24-2)19(17)21(20(22)23)13-12-16(25-21)14-15-8-5-4-6-9-15/h4-14H,3H2,1-2H3/b16-14-
InChIKeyADBRZQFMBRRFJE-PEZBUJJGSA-N
MW333.39 g/mol
LogP3.88
Rot. Bonds3

About (5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one

(5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one (PubChem CID 132584292) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one
PubChem CID132584292
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name(5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(C=C/C(=C/c3ccccc3)O2)c2c(OC)cccc21
InChIInChI=1S/C21H19NO3/c1-3-22-17-10-7-11-18(24-2)19(17)21(20(22)23)13-12-16(25-21)14-15-8-5-4-6-9-15/h4-14H,3H2,1-2H3/b16-14-
InChIKeyADBRZQFMBRRFJE-PEZBUJJGSA-N
XLogP3.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
(5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one
CID 102127924
(5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one
CID 54761923
2-(1-benzyl-4-methoxy-3-methyl-2-oxoindol-3-yl)acetic acid
CID 175312070
1-(3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-1-yl)ethanone
CID 53242550
(2E)-6-amino-2-benzylidene-4-ethyl-1,4-benzoxazin-3-one
CID 28863092
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351
(1Z)-1-(3-ethyl-7-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
CID 122643073
7-methoxy-3,3-diphenylbenzo[f]chromene
CID 18954870
ethyl 4-[(Z)-[1-(2-methoxyphenyl)-2-oxo-5-phenylpyrrol-3-ylidene]methyl]benzoate
CID 1083587
(2E)-7-amino-2-benzylidene-4-ethyl-1,4-benzoxazin-3-one
CID 28862928
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 5426863

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one?
The IUPAC name of (5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one (CID 132584292) is (5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one.
What is the SMILES notation for (5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one?
The canonical SMILES for (5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one is CCN1C(=O)C2(C=C/C(=C/c3ccccc3)O2)c2c(OC)cccc21.
What is the InChIKey of (5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one?
The InChIKey is ADBRZQFMBRRFJE-PEZBUJJGSA-N. The full InChI is InChI=1S/C21H19NO3/c1-3-22-17-10-7-11-18(24-2)19(17)21(20(22)23)13-12-16(25-21)14-15-8-5-4-6-9-15/h4-14H,3H2,1-2H3/b16-14-.
What are the key properties of (5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one?
(5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one has a molecular weight of 333.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one is sourced from PubChem (CID 132584292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).