3-(3,4-dimethylphenyl)imino-1H-indol-2-one

C16H14N2O — CID 135406017

IUPAC3-(3,4-dimethylphenyl)imino-1H-indol-2-one
SMILESCc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1C
InChIInChI=1S/C16H14N2O/c1-10-7-8-12(9-11(10)2)17-15-13-5-3-4-6-14(13)18-16(15)19/h3-9H,1-2H3,(H,17,18,19)
InChIKeyYTYBJPIUORONGK-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.38
Rot. Bonds1

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

3-(3,4-dimethylphenyl)imino-1H-indol-2-one (PubChem CID 135406017) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)imino-1H-indol-2-one
PubChem CID135406017
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-(3,4-dimethylphenyl)imino-1H-indol-2-one
SMILESCc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1C
InChIInChI=1S/C16H14N2O/c1-10-7-8-12(9-11(10)2)17-15-13-5-3-4-6-14(13)18-16(15)19/h3-9H,1-2H3,(H,17,18,19)
InChIKeyYTYBJPIUORONGK-UHFFFAOYSA-N
XLogP3.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,4-dimethylphenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(3,4-dimethylphenyl)imino-1H-indol-2-one (CID 135406017) is 3-(3,4-dimethylphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)imino-1H-indol-2-one is Cc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)imino-1H-indol-2-one?
The InChIKey is YTYBJPIUORONGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-7-8-12(9-11(10)2)17-15-13-5-3-4-6-14(13)18-16(15)19/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 3-(3,4-dimethylphenyl)imino-1H-indol-2-one?
3-(3,4-dimethylphenyl)imino-1H-indol-2-one has a molecular weight of 250.30 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135406017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).