3-[methoxy(phenyl)methylidene]-1H-indol-2-one

C16H13NO2 — CID 67005459

IUPAC3-[methoxy(phenyl)methylidene]-1H-indol-2-one
SMILESCOC(=C1C(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C16H13NO2/c1-19-15(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)17-16(14)18/h2-10H,1H3,(H,17,18)
InChIKeyVRJYLVZCUCQVBL-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.15
Rot. Bonds2

About 3-[methoxy(phenyl)methylidene]-1H-indol-2-one

3-[methoxy(phenyl)methylidene]-1H-indol-2-one (PubChem CID 67005459) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[methoxy(phenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[methoxy(phenyl)methylidene]-1H-indol-2-one
PubChem CID67005459
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3-[methoxy(phenyl)methylidene]-1H-indol-2-one
SMILESCOC(=C1C(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C16H13NO2/c1-19-15(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)17-16(14)18/h2-10H,1H3,(H,17,18)
InChIKeyVRJYLVZCUCQVBL-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
4-Methoxy-3-(3-methyl-1,3-butadienyl)-2(1H)-quinolinone
CID 131752802
Methyl 3-methyl-2-oxo-1,2-dihydro-4-quinolinecarboxylate
CID 751540
3-[4-(trifluoromethoxy)benzyl]-1,3-dihydro-2H-indol-2-one
CID 16413179
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 722626
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
(3Z)-5-Amino-3-[(4-methoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one
CID 46233144
4-(cyclopentoxy)-3-propyl-1H-quinolin-2-one
CID 503368
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727459
Methyl 3-(3-phenylpropanoylamino)benzoate
CID 2072960
2(1H)-Quinolinone, 3-(3-methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-
CID 4556
(3E)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 744222

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(phenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[methoxy(phenyl)methylidene]-1H-indol-2-one (CID 67005459) is 3-[methoxy(phenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[methoxy(phenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[methoxy(phenyl)methylidene]-1H-indol-2-one is COC(=C1C(=O)Nc2ccccc21)c1ccccc1.
What is the InChIKey of 3-[methoxy(phenyl)methylidene]-1H-indol-2-one?
The InChIKey is VRJYLVZCUCQVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-15(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)17-16(14)18/h2-10H,1H3,(H,17,18).
What are the key properties of 3-[methoxy(phenyl)methylidene]-1H-indol-2-one?
3-[methoxy(phenyl)methylidene]-1H-indol-2-one has a molecular weight of 251.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(phenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 67005459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).