(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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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).