1-methyl-3-(4-methylphenyl)iminoindol-2-one

C16H14N2O — CID 2816035

IUPAC1-methyl-3-(4-methylphenyl)iminoindol-2-one
SMILESCc1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O/c1-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)18(2)16(15)19/h3-10H,1-2H3/b17-15-
InChIKeyISVODKXPQNTMCZ-ICFOKQHNSA-N
MW250.30 g/mol
LogP3.09
Rot. Bonds1

About 1-methyl-3-(4-methylphenyl)iminoindol-2-one

1-methyl-3-(4-methylphenyl)iminoindol-2-one (PubChem CID 2816035) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)iminoindol-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)iminoindol-2-one
PubChem CID2816035
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-methyl-3-(4-methylphenyl)iminoindol-2-one
SMILESCc1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O/c1-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)18(2)16(15)19/h3-10H,1-2H3/b17-15-
InChIKeyISVODKXPQNTMCZ-ICFOKQHNSA-N
XLogP3.09
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
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 1-methyl-3-(4-methylphenyl)iminoindol-2-one?
The IUPAC name of 1-methyl-3-(4-methylphenyl)iminoindol-2-one (CID 2816035) is 1-methyl-3-(4-methylphenyl)iminoindol-2-one.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)iminoindol-2-one?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)iminoindol-2-one is Cc1ccc(/N=C2\C(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)iminoindol-2-one?
The InChIKey is ISVODKXPQNTMCZ-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)18(2)16(15)19/h3-10H,1-2H3/b17-15-.
What are the key properties of 1-methyl-3-(4-methylphenyl)iminoindol-2-one?
1-methyl-3-(4-methylphenyl)iminoindol-2-one has a molecular weight of 250.30 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)iminoindol-2-one is sourced from PubChem (CID 2816035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).