3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one

C16H15N3O — CID 135402333

IUPAC3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one
SMILESCN(C)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15N3O/c1-19(2)12-9-7-11(8-10-12)17-15-13-5-3-4-6-14(13)18-16(15)20/h3-10H,1-2H3,(H,17,18,20)
InChIKeyDFWZUSLCIXGPOP-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.83
Rot. Bonds2

About 3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one

3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one (PubChem CID 135402333) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one
PubChem CID135402333
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one
SMILESCN(C)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15N3O/c1-19(2)12-9-7-11(8-10-12)17-15-13-5-3-4-6-14(13)18-16(15)20/h3-10H,1-2H3,(H,17,18,20)
InChIKeyDFWZUSLCIXGPOP-UHFFFAOYSA-N
XLogP2.83
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Ropinirole
CID 5095
1-Phenyl-3-((3-(trifluoromethyl)phenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 1471834
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
3-((4-Chlorophenyl)imino)indolin-2-one
CID 135411931
3-((3,4-Dimethylphenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 135406017
3-(4-Bromo-phenylimino)-1,3-dihydro-indol-2-one
CID 135411933
3-Benzylideneindolin-2-one
CID 1551501
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
3-(4-Methylanilino)indol-2-one
CID 135412515
2-Indolinone, 3-(phenylimino)-
CID 135442567
3-(diphenylhydrazinylidene)-1,3-dihydro-2H-indol-2-one
CID 135439090
1-methyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide
CID 5328618

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one (CID 135402333) is 3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one is CN(C)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one?
The InChIKey is DFWZUSLCIXGPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19(2)12-9-7-11(8-10-12)17-15-13-5-3-4-6-14(13)18-16(15)20/h3-10H,1-2H3,(H,17,18,20).
What are the key properties of 3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one?
3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135402333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).