(3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one

C20H12F3NO — CID 126112448

IUPAC(3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cccc2ccccc12
InChIInChI=1S/C20H12F3NO/c21-20(22,23)14-8-9-16-17(19(25)24-18(16)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,24,25)/b17-10-
InChIKeyMJYMFLYBDOSBNF-YVLHZVERSA-N
MW339.32 g/mol
LogP5.35
Rot. Bonds1

About (3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one

(3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 126112448) has the molecular formula C20H12F3NO and a molecular weight of 339.32 g/mol. Its IUPAC name is (3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID126112448
Molecular FormulaC20H12F3NO
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name(3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cccc2ccccc12
InChIInChI=1S/C20H12F3NO/c21-20(22,23)14-8-9-16-17(19(25)24-18(16)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,24,25)/b17-10-
InChIKeyMJYMFLYBDOSBNF-YVLHZVERSA-N
XLogP5.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(2-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 955415
(3Z)-3-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 126110677
(3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 955225
(3E)-3-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374021
(3E)-3-[[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374195
(3E)-3-[[1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374105
(3Z)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 126107167
(3E)-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 955231
(3E)-3-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374196
(3Z)-3-[[4-[3-(dimethylamino)propoxy]-3-methylazulen-1-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 68580347
(3Z)-3-[[7-[3-(dimethylamino)propoxy]-3-methylazulen-1-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 25264341
(3E)-3-[[7-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374189

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one (CID 126112448) is (3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cccc2ccccc12.
What is the InChIKey of (3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is MJYMFLYBDOSBNF-YVLHZVERSA-N. The full InChI is InChI=1S/C20H12F3NO/c21-20(22,23)14-8-9-16-17(19(25)24-18(16)11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,24,25)/b17-10-.
What are the key properties of (3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one?
(3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 339.32 g/mol, XLogP of 5.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(naphthalen-1-ylmethylidene)-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 126112448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).