1-ethyl-3-phenyliminoindol-2-one

C16H14N2O — CID 23936952

IUPAC1-ethyl-3-phenyliminoindol-2-one
SMILESCCN1C(=O)/C(=N\c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O/c1-2-18-14-11-7-6-10-13(14)15(16(18)19)17-12-8-4-3-5-9-12/h3-11H,2H2,1H3/b17-15-
InChIKeyAYZVSBJTJNQTCF-ICFOKQHNSA-N
MW250.30 g/mol
LogP3.17
Rot. Bonds2

About 1-ethyl-3-phenyliminoindol-2-one

1-ethyl-3-phenyliminoindol-2-one (PubChem CID 23936952) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-ethyl-3-phenyliminoindol-2-one.

Molecular Properties

Compound Name1-ethyl-3-phenyliminoindol-2-one
PubChem CID23936952
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-ethyl-3-phenyliminoindol-2-one
SMILESCCN1C(=O)/C(=N\c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O/c1-2-18-14-11-7-6-10-13(14)15(16(18)19)17-12-8-4-3-5-9-12/h3-11H,2H2,1H3/b17-15-
InChIKeyAYZVSBJTJNQTCF-ICFOKQHNSA-N
XLogP3.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.17
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-ethyl-3-phenyliminoindol-2-one?
The IUPAC name of 1-ethyl-3-phenyliminoindol-2-one (CID 23936952) is 1-ethyl-3-phenyliminoindol-2-one.
What is the SMILES notation for 1-ethyl-3-phenyliminoindol-2-one?
The canonical SMILES for 1-ethyl-3-phenyliminoindol-2-one is CCN1C(=O)/C(=N\c2ccccc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-phenyliminoindol-2-one?
The InChIKey is AYZVSBJTJNQTCF-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-18-14-11-7-6-10-13(14)15(16(18)19)17-12-8-4-3-5-9-12/h3-11H,2H2,1H3/b17-15-.
What are the key properties of 1-ethyl-3-phenyliminoindol-2-one?
1-ethyl-3-phenyliminoindol-2-one has a molecular weight of 250.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyliminoindol-2-one is sourced from PubChem (CID 23936952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).