(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one

C17H15NO — CID 58923998

IUPAC(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
SMILESCc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1C
InChIInChI=1S/C17H15NO/c1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-16(14)18-17(15)19/h3-10H,1-2H3,(H,18,19)/b15-10-
InChIKeyMLTVGMKTZVOOMQ-GDNBJRDFSA-N
MW249.31 g/mol
LogP3.80
Rot. Bonds1

About (3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one

(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one (PubChem CID 58923998) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
PubChem CID58923998
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
SMILESCc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1C
InChIInChI=1S/C17H15NO/c1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-16(14)18-17(15)19/h3-10H,1-2H3,(H,18,19)/b15-10-
InChIKeyMLTVGMKTZVOOMQ-GDNBJRDFSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.80
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-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-1H-indol-2-one
CID 964069
(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 94468994
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
CID 75299455
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
CID 69304942
(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
CID 134593398
(3E)-3-[(2,5-dimethoxy-4-methylphenyl)methylidene]-1H-indol-2-one
CID 112979013
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one (CID 58923998) is (3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one is Cc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1C.
What is the InChIKey of (3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is MLTVGMKTZVOOMQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H15NO/c1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-16(14)18-17(15)19/h3-10H,1-2H3,(H,18,19)/b15-10-.
What are the key properties of (3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 249.31 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 58923998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).