(3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one

C17H13NO2 — CID 790035

IUPAC(3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one
SMILESCc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H13NO2/c1-11-6-8-12(9-7-11)16(19)10-14-13-4-2-3-5-15(13)18-17(14)20/h2-10H,1H3,(H,18,20)/b14-10-
InChIKeyFBLPQUFEFNKSRN-UVTDQMKNSA-N
MW263.30 g/mol
LogP3.21
Rot. Bonds2

About (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one

(3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one (PubChem CID 790035) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one
PubChem CID790035
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one
SMILESCc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H13NO2/c1-11-6-8-12(9-7-11)16(19)10-14-13-4-2-3-5-15(13)18-17(14)20/h2-10H,1H3,(H,18,20)/b14-10-
InChIKeyFBLPQUFEFNKSRN-UVTDQMKNSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ebselen
CID 3194
Isatin
CID 7054
Oxindole
CID 321710
Acetylisatin
CID 11321
N-Phenylphthalimide
CID 68215
1-Phenylisatin
CID 12884
7-Methylisatin
CID 14313
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
Benzanilide
CID 7168
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
5-Methylisatin
CID 11840
5,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 38296

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one (CID 790035) is (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one is Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one?
The InChIKey is FBLPQUFEFNKSRN-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H13NO2/c1-11-6-8-12(9-7-11)16(19)10-14-13-4-2-3-5-15(13)18-17(14)20/h2-10H,1H3,(H,18,20)/b14-10-.
What are the key properties of (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one?
(3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one has a molecular weight of 263.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-1H-indol-2-one is sourced from PubChem (CID 790035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).