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

C15H11ClN2O — CID 135444079

IUPAC3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)/C2=N\c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O/c1-9-3-2-4-12-13(9)18-15(19)14(12)17-11-7-5-10(16)6-8-11/h2-8H,1H3,(H,17,18,19)
InChIKeyZWUKEUMIJRWGMM-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.72
Rot. Bonds1

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

3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one (PubChem CID 135444079) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one
PubChem CID135444079
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)/C2=N\c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O/c1-9-3-2-4-12-13(9)18-15(19)14(12)17-11-7-5-10(16)6-8-11/h2-8H,1H3,(H,17,18,19)
InChIKeyZWUKEUMIJRWGMM-UHFFFAOYSA-N
XLogP3.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.72
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-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one?
The IUPAC name of 3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one (CID 135444079) is 3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one is Cc1cccc2c1NC(=O)/C2=N\c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one?
The InChIKey is ZWUKEUMIJRWGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-9-3-2-4-12-13(9)18-15(19)14(12)17-11-7-5-10(16)6-8-11/h2-8H,1H3,(H,17,18,19).
What are the key properties of 3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one?
3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one has a molecular weight of 270.72 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)imino-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135444079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).