(5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one

C19H17NO3S — CID 54761923

IUPAC(5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(C=C/C(=C/c3cccs3)O2)c2ccc(OC)cc21
InChIInChI=1S/C19H17NO3S/c1-3-20-17-12-13(22-2)6-7-16(17)19(18(20)21)9-8-14(23-19)11-15-5-4-10-24-15/h4-12H,3H2,1-2H3/b14-11-
InChIKeyYXFFDELQIJTDEU-KAMYIIQDSA-N
MW339.42 g/mol
LogP3.95
Rot. Bonds3

About (5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one

(5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one (PubChem CID 54761923) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one
PubChem CID54761923
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name(5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(C=C/C(=C/c3cccs3)O2)c2ccc(OC)cc21
InChIInChI=1S/C19H17NO3S/c1-3-20-17-12-13(22-2)6-7-16(17)19(18(20)21)9-8-14(23-19)11-15-5-4-10-24-15/h4-12H,3H2,1-2H3/b14-11-
InChIKeyYXFFDELQIJTDEU-KAMYIIQDSA-N
XLogP3.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5Z)-5-benzylidene-1'-ethyl-4'-methoxyspiro[furan-2,3'-indole]-2'-one
CID 132584292
(5E)-5-[(2-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one
CID 102127924
(5E)-5-[(4-chlorophenyl)methylidene]-1'-ethyl-4',5',6'-trimethoxyspiro[furan-2,3'-indole]-2'-one
CID 102127922
5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
CID 68674859
(3E)-5-(2,4-dimethoxyphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
CID 6509321
2-[(4Z)-2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16632775
(5E)-1-[(2,5-dimethoxyphenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 30023122
(5'Z)-1-benzyl-5'-benzylidene-6-methoxyspiro[indole-3,2'-oxolane]-2-one
CID 54761735
methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate
CID 4045724
5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione
CID 61356112
(3E)-N-butyl-6-methoxy-3-(thiophen-2-ylmethylidene)indene-1-carboxamide
CID 142730306
6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione
CID 156772245

Frequently Asked Questions

What is the IUPAC name of (5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one?
The IUPAC name of (5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one (CID 54761923) is (5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one.
What is the SMILES notation for (5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one?
The canonical SMILES for (5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one is CCN1C(=O)C2(C=C/C(=C/c3cccs3)O2)c2ccc(OC)cc21.
What is the InChIKey of (5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one?
The InChIKey is YXFFDELQIJTDEU-KAMYIIQDSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-3-20-17-12-13(22-2)6-7-16(17)19(18(20)21)9-8-14(23-19)11-15-5-4-10-24-15/h4-12H,3H2,1-2H3/b14-11-.
What are the key properties of (5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one?
(5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one has a molecular weight of 339.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one is sourced from PubChem (CID 54761923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).