3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one

C16H14N2O2 — CID 135449508

IUPAC3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)Nc3c(C)cccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)18-16(19)15(13)17-11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)
InChIKeyQWWWIQUREAOGFP-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.08
Rot. Bonds2

About 3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one

3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one (PubChem CID 135449508) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
PubChem CID135449508
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)Nc3c(C)cccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)18-16(19)15(13)17-11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)
InChIKeyQWWWIQUREAOGFP-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one?
The IUPAC name of 3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one (CID 135449508) is 3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one is COc1ccc(/N=C2\C(=O)Nc3c(C)cccc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one?
The InChIKey is QWWWIQUREAOGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)18-16(19)15(13)17-11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one?
3-(4-methoxyphenyl)imino-7-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-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135449508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).