3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one

C16H14N2O2 — CID 135402390

IUPAC3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one
SMILESCOc1ccccc1/N=C1\C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C16H14N2O2/c1-10-7-8-12-11(9-10)15(16(19)18-12)17-13-5-3-4-6-14(13)20-2/h3-9H,1-2H3,(H,17,18,19)
InChIKeyJIJCXGNEOXZMAA-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.08
Rot. Bonds2

About 3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one

3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one (PubChem CID 135402390) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one
PubChem CID135402390
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one
SMILESCOc1ccccc1/N=C1\C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C16H14N2O2/c1-10-7-8-12-11(9-10)15(16(19)18-12)17-13-5-3-4-6-14(13)20-2/h3-9H,1-2H3,(H,17,18,19)
InChIKeyJIJCXGNEOXZMAA-UHFFFAOYSA-N
XLogP3.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.08
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

3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
(3E)-3-[(4-Methoxyphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135406018
2-hydroxy-N-(2-methoxyphenyl)quinoline-4-carboxamide
CID 917217
5-(3-Methoxy-phenyl)-3,3-dimethyl-1,3-dihydro-indol-2-one
CID 9860141
5-Substituted derivative, 3
CID 44604650
(3Z)-3-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1H-indol-2-one
CID 122182250
(3E)-4-bromo-3-[(4-ethoxyphenyl)imino]-5-methyl-1,3-dihydro-2H-indol-2-one
CID 135403068
4-Bromo-3-(4-methoxy-phenylimino)-5-methyl-1,3-dihydro-indol-2-one
CID 135421501
3-[(E)-4-Methoxy-phenylimino]-7-methyl-1,3-dihydro-indol-2-one
CID 135449508
3-(4-Methoxybenzylidene)-2-indolinone
CID 727515
(3Z)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727518
(3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 672250

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one?
The IUPAC name of 3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one (CID 135402390) is 3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one.
What is the SMILES notation for 3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one?
The canonical SMILES for 3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one is COc1ccccc1/N=C1\C(=O)Nc2ccc(C)cc21.
What is the InChIKey of 3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one?
The InChIKey is JIJCXGNEOXZMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-7-8-12-11(9-10)15(16(19)18-12)17-13-5-3-4-6-14(13)20-2/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one?
3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)imino-5-methyl-1H-indol-2-one is sourced from PubChem (CID 135402390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).