3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one

C19H20N2O — CID 135559376

IUPAC3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one
SMILESCCc1cccc(CC)c1/N=C1/C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C19H20N2O/c1-4-13-7-6-8-14(5-2)17(13)21-18-15-11-12(3)9-10-16(15)20-19(18)22/h6-11H,4-5H2,1-3H3,(H,20,21,22)
InChIKeyZJRDMZVFNKAMSD-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.19
Rot. Bonds3

About 3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one

3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one (PubChem CID 135559376) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one
PubChem CID135559376
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one
SMILESCCc1cccc(CC)c1/N=C1/C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C19H20N2O/c1-4-13-7-6-8-14(5-2)17(13)21-18-15-11-12(3)9-10-16(15)20-19(18)22/h6-11H,4-5H2,1-3H3,(H,20,21,22)
InChIKeyZJRDMZVFNKAMSD-UHFFFAOYSA-N
XLogP4.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.19
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-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one?
The IUPAC name of 3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one (CID 135559376) is 3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one.
What is the SMILES notation for 3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one?
The canonical SMILES for 3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one is CCc1cccc(CC)c1/N=C1/C(=O)Nc2ccc(C)cc21.
What is the InChIKey of 3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one?
The InChIKey is ZJRDMZVFNKAMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-4-13-7-6-8-14(5-2)17(13)21-18-15-11-12(3)9-10-16(15)20-19(18)22/h6-11H,4-5H2,1-3H3,(H,20,21,22).
What are the key properties of 3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one?
3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one has a molecular weight of 292.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylphenyl)imino-5-methyl-1H-indol-2-one is sourced from PubChem (CID 135559376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).