3-(4-methoxyphenyl)imino-1H-indol-2-one

C15H12N2O2 — CID 135406018

IUPAC3-(4-methoxyphenyl)imino-1H-indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)
InChIKeyPXSATUQXASGWQE-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.77
Rot. Bonds2

About 3-(4-methoxyphenyl)imino-1H-indol-2-one

3-(4-methoxyphenyl)imino-1H-indol-2-one (PubChem CID 135406018) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)imino-1H-indol-2-one
PubChem CID135406018
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-(4-methoxyphenyl)imino-1H-indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)
InChIKeyPXSATUQXASGWQE-UHFFFAOYSA-N
XLogP2.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One
CID 135406167
3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
1,2-Benzisoselenazol-3(2H)-one, 2-(4-methoxyphenyl)-
CID 3067568
N-(4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 838959
N-(4-methoxyphenyl)-2-phenylacetamide
CID 531989
(3Z)-5-Amino-3-[(4-methoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one
CID 46233144
(3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135519990
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727459
1-(4-(3-(Diethylamino)propoxy)phenyl)-3-(3-(trifluoromethyl)phenylimino)indolin-2-one
CID 11540517
3-Ethyl-3-{4-[4-(4-methoxyphenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854186
1-(4-(4-(Diethylamino)butoxy)phenyl)-3-(3-(trifluoromethyl)phenylimino)indolin-2-one
CID 44414180
(3E)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 744222

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(4-methoxyphenyl)imino-1H-indol-2-one (CID 135406018) is 3-(4-methoxyphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)imino-1H-indol-2-one is COc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)imino-1H-indol-2-one?
The InChIKey is PXSATUQXASGWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18).
What are the key properties of 3-(4-methoxyphenyl)imino-1H-indol-2-one?
3-(4-methoxyphenyl)imino-1H-indol-2-one has a molecular weight of 252.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135406018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).